Compound Name

SMILES String

CC1NC(=O)c2ccc(Nc3ccncn3)cc12

CC1(C)NC(=O)c2ccc(Nc3ccncn3)cc12

CC1(C)NC(=O)c2c(F)cc(Nc3ccncn3)c(=O)n12

Cc1cc(Nc2ccncn2)c(=O)n2c1C(=O)NC2(C)C

CC1(C)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n12

Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCC4)n3c2=O)ncn1

Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1

CC1(C)NC(=O)c2ccc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12

CC1(NC(=O)c2c(Cl)cc(Nc3cc(NC(=O)C4CC4)ncn3)c(=O)n12)c1cccc(Cl)c1

O=C(Nc1cc(Nc2ccc3C(=O)NCc3c2)ncn1)C1CC1

Clc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCCCC1

Nc1cc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)ncn1

CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C

CC1(C)NC(=O)c2c(Cl)cc(Nc3ccncn3)c(=O)n12

Nc1ncnc(Nc2cc(Cl)c3C(=O)NC4(CCCCC4)n3c2=O)c1Cl

N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3ccc4cnccc4c3)n2n1 |r,wU:3.5,wD:1.0,(36.72,-33.01,;35.21,-33.32,;33.93,-32.47,;33.08,-33.76,;34.37,-34.61,;31.57,-34.07,;30.55,-32.92,;29.04,-33.23,;28.03,-32.08,;28.51,-30.62,;27.74,-29.3,;28.77,-28.15,;30.18,-28.78,;31.51,-28.01,;31.51,-26.46,;32.84,-25.69,;34.17,-26.46,;35.5,-25.68,;36.83,-26.44,;36.84,-27.99,;35.51,-28.77,;34.17,-28,;32.84,-28.78,;30.01,-30.31,;31.04,-31.45,)|

CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(=O)NO

CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccccc1

CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N

O=C(N1CCOCC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(F)F

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(F)(F)F

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(O)=O

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(C)cc1

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1

NC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1

Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccccc1

CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C(N)=O

O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1

O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1

Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)N1CCOCC1

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Cl)cc1

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(O)c1

CC(=O)Nc1cn2c(cnc2cn1)-c1ccc(O)cc1

C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r|

CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C

C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r|

CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1

CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(N3CCNCC3)c2[nH]1

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1C

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)N1CCOCC1

CC(C)Oc1cc(ccc1C(N)=O)-c1cccnc1

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1nn[nH]n1

CNC(=O)c1cncc(c1)-c1ccc(C(N)=O)c(OC(C)C)c1

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1CCOC1

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c[nH]nc1C1CC1

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)N1CCCC1

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C(C)C

CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1c(C)n[nH]c1C