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QBP

QBP
Name:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole
Formula:	C8 H5 F3 N4
SMILES:	C(F)(F)(c2ccc(c1nnnn1)cc2)F
InChi:	InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
Definition date:	2019-10-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole

QF1

QF1
Name:	5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
Formula:	C15 H17 Br Cl N3 O5 S2
SMILES:	CS(c2nc(cn2C1CCCC1)NS(c3cc(cc(c3O)Cl)Br)(=O)=O)(=O)=O
InChi:	InChI=1S/C15H17BrClN3O5S2/c1-26(22,23)15-18-13(8-20(15)10-4-2-3-5-10)19-27(24,25)12-7-9(16)6-11(17)14(12)21/h6-8,10,19,21H,2-5H2,1H3
Definition date:	2019-10-21
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide

QKP

QKP
Name:	2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one
Formula:	C27 H34 N2 O6
SMILES:	c2(OCC(CN1CCN(CC1)C)O)c(cc(cc2C)C3=CC(c4c(cc(cc4O3)OC)OC)=O)C
InChi:	InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
Definition date:	2019-11-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one

QZ1

QZ1
Name:	2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid
Formula:	C19 H22 F N O2
SMILES:	c1cc(c(c(F)c1)C(O)=O)Nc2cccc(c2)CCCCCC
InChi:	InChI=1S/C19H22FNO2/c1-2-3-4-5-8-14-9-6-10-15(13-14)21-17-12-7-11-16(20)18(17)19(22)23/h6-7,9-13,21H,2-5,8H2,1H3,(H,22,23)
Definition date:	2020-01-15
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid

Q1Y

Q1Y
Name:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide
Formula:	C28 H27 F N4 O4
SMILES:	c6(OCC1C(CCNC1)c2ccc(c(c2)C(NCc4c3c(cccc3)nn4)=O)F)cc5c(OCO5)cc6
InChi:	InChI=1S/C28H27FN4O4/c29-23-7-5-17(11-22(23)28(34)31-14-25-21-3-1-2-4-24(21)32-33-25)20-9-10-30-13-18(20)15-35-19-6-8-26-27(12-19)37-16-36-26/h1-8,11-12,18,20,30H,9-10,13-16H2,(H,31,34)(H,32,33)/t18-,20-/m0/s1
Definition date:	2019-09-06
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide

Q8D

Q8D
Name:	1-cyclohexyl-1H-benzotriazole-5-carboxylic acid
Formula:	C13 H15 N3 O2
SMILES:	c12cc(C(O)=O)ccc1n(nn2)C3CCCCC3
InChi:	InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18)
Definition date:	2019-10-02
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-cyclohexyl-1H-benzotriazole-5-carboxylic acid

Q8G

Q8G
Name:	1-cyclohexyl-1H-benzimidazole-5-carboxylic acid
Formula:	C14 H16 N2 O2
SMILES:	c12ncn(c1ccc(C(O)=O)c2)C3CCCCC3
InChi:	InChI=1S/C14H16N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18)
Definition date:	2019-10-02
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-cyclohexyl-1H-benzimidazole-5-carboxylic acid

Q8M

Q8M
Name:	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Formula:	C14 H15 Br Cl N3 O3 S
SMILES:	C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3
InChi:	InChI=1S/C14H15BrClN3O3S/c15-9-5-11(16)14(20)12(6-9)23(21,22)18-13-7-19(8-17-13)10-3-1-2-4-10/h5-8,10,18,20H,1-4H2
Definition date:	2019-10-03
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide

Q8P

Q8P
Name:	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide
Formula:	C16 H18 Br Cl N4 O4 S
SMILES:	C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C(NC)=O
InChi:	InChI=1S/C16H18BrClN4O4S/c1-19-16(24)15-20-13(8-22(15)10-4-2-3-5-10)21-27(25,26)12-7-9(17)6-11(18)14(12)23/h6-8,10,21,23H,2-5H2,1H3,(H,19,24)
Definition date:	2019-10-03
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide

Q8S

Q8S
Name:	5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Formula:	C15 H17 Br Cl N3 O3 S
SMILES:	C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C
InChi:	InChI=1S/C15H17BrClN3O3S/c1-9-18-14(8-20(9)11-4-2-3-5-11)19-24(22,23)13-7-10(16)6-12(17)15(13)21/h6-8,11,19,21H,2-5H2,1H3
Definition date:	2019-10-03
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide

S6V

S6V
Name:	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
Formula:	C13 H17 N3 O2
SMILES:	O=C(NCCN1CCCC1=O)Nc2ccccc2
InChi:	InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
Definition date:	2020-03-04
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea

MRJ

MRJ
Name:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C23 H46 N3 O8 P
SMILES:	OP(O)(=O)OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCC)=O)C
InChi:	InChI=1S/C23H46N3O8P/c1-4-5-6-7-8-9-10-11-12-13-19(27)24-16-17-25-20(28)14-15-26-22(30)21(29)23(2,3)18-34-35(31,32)33/h21,29H,4-18H2,1-3H3,(H,24,27)(H,25,28)(H,26,30)(H2,31,32,33)/t21-/m0/s1
Definition date:	2019-04-15
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

MU7

MU7
Name:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
Formula:	C20 H19 I N2 O4
SMILES:	Ic1ccccc1C(NCCC3=Cc2c(ccc(c2NC3=O)OC)OC)=O
InChi:	InChI=1S/C20H19IN2O4/c1-26-16-7-8-17(27-2)18-14(16)11-12(19(24)23-18)9-10-22-20(25)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
Definition date:	2019-04-16
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide

O3Z

O3Z
Name:	(2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
Formula:	C11 H17 N2 O8 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO)C(O)=O)c1O
InChi:	InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m1/s1
Definition date:	2020-01-28
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid

T9J

T9J
Name:	Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide
Formula:	C14 H15 Br N2 O3
SMILES:	N(C(Cc1ccc(cc1)O)C(=O)NCC#CBr)C(C)=O
InChi:	InChI=1S/C14H15BrN2O3/c1-10(18)17-13(14(20)16-8-2-7-15)9-11-3-5-12(19)6-4-11/h3-6,13,19H,8-9H2,1H3,(H,16,20)(H,17,18)/t13-/m0/s1
Definition date:	2020-03-18
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide

T9M

T9M
Name:	N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide
Formula:	C9 H16 N2 O3
SMILES:	N(C(C)=O)C(C(=O)NCC=C)C(C)O
InChi:	InChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8+/m0/s1
Definition date:	2020-03-18
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide

T9P

T9P
Name:	N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide
Formula:	C9 H15 N3 O3
SMILES:	N(C(CC(N)=O)C(NCC=C)=O)C(C)=O
InChi:	InChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1
Definition date:	2020-03-18
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide

SXG

SXG
Name:	2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
Formula:	C12 H3 F9 N2 O4 S2
SMILES:	N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChi:	InChI=1S/C12H3F9N2O4S2/c13-1-2(14)6(18)12(7(19)3(1)15)29(26,27)23-10-4(16)8(20)11(28(22,24)25)9(21)5(10)17/h23H,(H2,22,24,25)
Definition date:	2019-07-26
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)-4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]benzenesulfonamide

AYR

AYR
Name:	(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
Formula:	C17 H19 N O3
SMILES:	C(c2ccc1OCOc1c2)=[C@H]C=[C@H]C(N3CCCCC3)=O
InChi:	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
Definition date:	2018-12-13
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

C6O

C6O
Name:	6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
Formula:	C34 H39 Cl F N7 O2
SMILES:	CCC(=O)N1CCC[CH](C1)N2C(=O)C(=C(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc23)c6cccc(F)c6Cl
InChi:	InChI=1S/C34H39ClFN7O2/c1-5-29(44)42-13-7-8-24(20-42)43-32-26(22(3)30(33(43)45)25-9-6-10-27(36)31(25)35)19-37-34(39-32)38-23-11-12-28(21(2)18-23)41-16-14-40(4)15-17-41/h6,9-12,18-19,24H,5,7-8,13-17,20H2,1-4H3,(H,37,38,39)/t24-/m0/s1
Definition date:	2019-04-11
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3~{S})-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one

C9U

C9U
Name:	4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
Formula:	C24 H26 N8
SMILES:	CCn1cc(c2ccnc(Nc3ccc(cc3)N4CCNCC4)n2)c(n1)c5cccnc5
InChi:	InChI=1S/C24H26N8/c1-2-32-17-21(23(30-32)18-4-3-10-26-16-18)22-9-11-27-24(29-22)28-19-5-7-20(8-6-19)31-14-12-25-13-15-31/h3-11,16-17,25H,2,12-15H2,1H3,(H,27,28,29)
Definition date:	2019-04-23
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine

U0M

U0M
Name:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
Formula:	C9 H12 F N3 S
SMILES:	C=1CCN(CC=1F)Cc2nnc(C)s2
InChi:	InChI=1S/C9H12FN3S/c1-7-11-12-9(14-7)6-13-4-2-3-8(10)5-13/h3H,2,4-6H2,1H3
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine

U0P

U0P
Name:	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
Formula:	C10 H15 N3 O2
SMILES:	C(N(C)Cc1noc(c1)C)(NC2CC2)=O
InChi:	InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

U0S

U0S
Name:	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
Formula:	C11 H15 N3 O
SMILES:	C3CC2(CN(c1nccnc1)CC2)CO3
InChi:	InChI=1S/C11H15N3O/c1-5-14(10-7-12-3-4-13-10)8-11(1)2-6-15-9-11/h3-4,7H,1-2,5-6,8-9H2/t11-/m0/s1
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

U0V

U0V
Name:	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
Formula:	C14 H13 F N2 O
SMILES:	c2(CCNC(c1c(F)cccc1)=O)ccncc2
InChi:	InChI=1S/C14H13FN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide

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