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NQQ

NQQ
Name:	2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
Formula:	C19 H20 Cl N5 O2
SMILES:	CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3ccnc(Cl)c3C#N)ccc12
InChi:	InChI=1S/C19H20ClN5O2/c1-19(2,27)7-9-25-16-10-12(4-5-15(16)24(3)18(25)26)23-14-6-8-22-17(20)13(14)11-21/h4-6,8,10,27H,7,9H2,1-3H3,(H,22,23)
Definition date:	2019-12-11
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile

NQT

NQT
Name:	5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
Formula:	C22 H26 Cl N7 O2
SMILES:	CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)n4nc(C)cc4C)ccc12
InChi:	InChI=1S/C22H26ClN7O2/c1-13-10-14(2)30(27-13)20-24-12-16(23)19(26-20)25-15-6-7-17-18(11-15)29(21(31)28(17)5)9-8-22(3,4)32/h6-7,10-12,32H,8-9H2,1-5H3,(H,24,25,26)
Definition date:	2019-12-11
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one

S8V

S8V
Name:	~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine
Formula:	C8 H15 N O
SMILES:	C1C[CH](CNC2CC2)CO1
InChi:	InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine

R2H

R2H
Name:	3-fluoro dicyclotyrosine
Formula:	C18 H17 F N2 O4
SMILES:	Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(F)c3)NC2=O)cc1
InChi:	InChI=1S/C18H17FN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(3-fluoranyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

NQW

NQW
Name:	5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
Formula:	C23 H31 Cl N6 O3
SMILES:	C[CH]1CN(C[CH](C)O1)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2
InChi:	InChI=1S/C23H31ClN6O3/c1-14-12-29(13-15(2)33-14)21-25-11-17(24)20(27-21)26-16-6-7-18-19(10-16)30(22(31)28(18)5)9-8-23(3,4)32/h6-7,10-11,14-15,32H,8-9,12-13H2,1-5H3,(H,25,26,27)/t14-,15+
Definition date:	2019-12-11
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one

NQZ

NQZ
Name:	5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
Formula:	C24 H31 Cl F2 N6 O2
SMILES:	C[CH]1CN(C[CH](C)C1(F)F)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2
InChi:	InChI=1S/C24H31ClF2N6O2/c1-14-12-32(13-15(2)24(14,26)27)21-28-11-17(25)20(30-21)29-16-6-7-18-19(10-16)33(22(34)31(18)5)9-8-23(3,4)35/h6-7,10-11,14-15,35H,8-9,12-13H2,1-5H3,(H,28,29,30)/t14-,15+
Definition date:	2019-12-11
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one

NR5

NR5
Name:	5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
Formula:	C25 H35 Cl N6 O3
SMILES:	CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)N4CC(C)(C)OC(C)(C)C4)ccc12
InChi:	InChI=1S/C25H35ClN6O3/c1-23(2,34)10-11-32-19-12-16(8-9-18(19)30(7)22(32)33)28-20-17(26)13-27-21(29-20)31-14-24(3,4)35-25(5,6)15-31/h8-9,12-13,34H,10-11,14-15H2,1-7H3,(H,27,28,29)
Definition date:	2019-12-11
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one

NR8

NR8
Name:	2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
Formula:	C18 H18 Cl N5 O2
SMILES:	CC[CH](O)CN1C(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:	InChI=1S/C18H18ClN5O2/c1-3-12(25)10-24-16-8-11(4-5-15(16)23(2)18(24)26)22-14-6-7-21-17(19)13(14)9-20/h4-8,12,25H,3,10H2,1-2H3,(H,21,22)/t12-/m0/s1
Definition date:	2019-12-11
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile

S9D

S9D
Name:	2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine
Formula:	C13 H14 N4 O
SMILES:	C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2
InChi:	InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine

S9G

S9G
Name:	cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
Formula:	C13 H20 N2 O3
SMILES:	O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3
InChi:	InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone

S9J

S9J
Name:	2-(2-methoxyphenoxy)ethanehydrazide
Formula:	C9 H12 N2 O3
SMILES:	COc1ccccc1OCC(=O)NN
InChi:	InChI=1S/C9H12N2O3/c1-13-7-4-2-3-5-8(7)14-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-(2-methoxyphenoxy)ethanehydrazide

S9M

S9M
Name:	2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol
Formula:	C9 H10 F2 N2 O
SMILES:	C2(c1c(O)c(cc(c1)F)F)NNCC2
InChi:	InChI=1S/C9H10F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h3-4,8,12-14H,1-2H2
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol

S9P

S9P
Name:	2-methyl-1,3-benzoxazol-6-ol
Formula:	C8 H7 N O2
SMILES:	Cc1oc2cc(O)ccc2n1
InChi:	InChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-methyl-1,3-benzoxazol-6-ol

S9S

S9S
Name:	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
Formula:	C9 H12 F N O2 S
SMILES:	C[S](=O)(=O)NCCc1ccc(F)cc1
InChi:	InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide

S9V

S9V
Name:	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
Formula:	C11 H15 Cl N2 O2
SMILES:	CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1
InChi:	InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea

LRW

LRW
Name:	(~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
Formula:	C10 H7 F3 O2
SMILES:	OC(=O)C=Cc1cccc(c1)C(F)(F)F
InChi:	InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
Definition date:	2019-09-03
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid

O91

O91
Name:	[2-(4-methylphenyl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
Formula:	C20 H20 N2 O4
SMILES:	c1c(OC)c(c(cc1C(=O)c2cnc(n2)c3ccc(cc3)C)OC)OC
InChi:	InChI=1S/C20H20N2O4/c1-12-5-7-13(8-6-12)20-21-11-15(22-20)18(23)14-9-16(24-2)19(26-4)17(10-14)25-3/h5-11H,1-4H3,(H,21,22)
Definition date:	2019-06-18
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	[2-(4-methylphenyl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone

LSQ

LSQ
Name:	3-(3-chlorophenyl)propanoic acid
Formula:	C9 H9 Cl O2
SMILES:	OC(=O)CCc1cccc(Cl)c1
InChi:	InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
Definition date:	2019-09-03
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3-(3-chlorophenyl)propanoic acid

LT8

LT8
Name:	2-pyrazol-1-ylbenzoic acid
Formula:	C10 H8 N2 O2
SMILES:	OC(=O)c1ccccc1n2cccn2
InChi:	InChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14)
Definition date:	2019-09-03
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-pyrazol-1-ylbenzoic acid

LTK

LTK
Name:	~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide
Formula:	C16 H15 Cl N2 O2 S2
SMILES:	Cc1c2cc(Cl)ccc2sc1[S](=O)(=O)Nc3cccc(CN)c3
InChi:	InChI=1S/C16H15ClN2O2S2/c1-10-14-8-12(17)5-6-15(14)22-16(10)23(20,21)19-13-4-2-3-11(7-13)9-18/h2-8,19H,9,18H2,1H3
Definition date:	2019-09-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide

T91

T91
Name:	N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
Formula:	C14 H19 N3 O
SMILES:	n1c(CCNC(C(C)(C)C)=O)nc2c1cccc2
InChi:	InChI=1S/C14H19N3O/c1-14(2,3)13(18)15-9-8-12-16-10-6-4-5-7-11(10)17-12/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
Definition date:	2020-03-16
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide

RL7

RL7
Name:	N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide
Formula:	C17 H16 F4 N2 O
SMILES:	C(c1c(cc(cc1)C(F)(F)F)F)c3c(c(C(=O)NC2CC2)nc3)C
InChi:	InChI=1S/C17H16F4N2O/c1-9-11(8-22-15(9)16(24)23-13-4-5-13)6-10-2-3-12(7-14(10)18)17(19,20)21/h2-3,7-8,13,22H,4-6H2,1H3,(H,23,24)
Definition date:	2020-02-14
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide

RLA

RLA
Name:	ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate
Formula:	C17 H18 F3 N O2
SMILES:	c1(ccc(cc1)Cc2c(nc(C(OCC)=O)c2C)C)C(F)(F)F
InChi:	InChI=1S/C17H18F3NO2/c1-4-23-16(22)15-10(2)14(11(3)21-15)9-12-5-7-13(8-6-12)17(18,19)20/h5-8,21H,4,9H2,1-3H3
Definition date:	2020-02-14
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate

QH4

QH4
Name:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile
Formula:	C32 H39 N7 O2
SMILES:	C(C#N)C1CN(CCN1C(=O)CC)c2nc(nc3CN(CCc23)c4c5c(ccc4)cccc5)OCC6CCCN6C
InChi:	InChI=1S/C32H39N7O2/c1-3-30(40)39-19-18-38(20-24(39)13-15-33)31-27-14-17-37(29-12-6-9-23-8-4-5-11-26(23)29)21-28(27)34-32(35-31)41-22-25-10-7-16-36(25)2/h4-6,8-9,11-12,24-25H,3,7,10,13-14,16-22H2,1-2H3/t24-,25-/m0/s1
Definition date:	2019-11-01
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile

OUC

OUC
Name:	(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Formula:	C20 H22 N2 O4
SMILES:	Cc1cc(O)cc(C)c1C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O
InChi:	InChI=1S/C20H22N2O4/c1-11-7-15(24)8-12(2)16(11)10-18-20(26)21-17(19(25)22-18)9-13-3-5-14(23)6-4-13/h3-8,17-18,23-24H,9-10H2,1-2H3,(H,21,26)(H,22,25)/t17-,18-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

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