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A1I6I

A1I6I
Name:	~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide
Formula:	C17 H19 F4 N3 O3 S
SMILES:	CN(C)[S](=O)(=O)C[CH]1CCCN(C1)C(=O)c2c[nH]c3c(F)c(F)c(F)c(F)c23
InChi:	InChI=1S/C17H19F4N3O3S/c1-23(2)28(26,27)8-9-4-3-5-24(7-9)17(25)10-6-22-16-11(10)12(18)13(19)14(20)15(16)21/h6,9,22H,3-5,7-8H2,1-2H3/t9-/m0/s1
Definition date:	2025-03-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide

A1I6J

A1I6J
Name:	~{N}-[(4~{R})-4-cyclohexyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,5,6,7-tetrakis(fluoranyl)-1~{H}-indole-3-carboxamide
Formula:	C18 H16 F4 N4 O3
SMILES:	Fc1c(F)c(F)c2c([nH]cc2C(=O)NN3C(=O)N[CH](C4CCCCC4)C3=O)c1F
InChi:	InChI=1S/C18H16F4N4O3/c19-10-9-8(6-23-15(9)13(22)12(21)11(10)20)16(27)25-26-17(28)14(24-18(26)29)7-4-2-1-3-5-7/h6-7,14,23H,1-5H2,(H,24,29)(H,25,27)/t14-/m1/s1
Definition date:	2025-03-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N}-[(4~{R})-4-cyclohexyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,5,6,7-tetrakis(fluoranyl)-1~{H}-indole-3-carboxamide

A1I6K

A1I6K
Name:	~{N}-[(1~{R},2~{R})-2-[[(1~{S})-1-(2-methoxyphenyl)-3-(methylamino)-3-oxidanylidene-propyl]carbamoyl]cyclopentyl]-4,5,6,7-tetrahydro-1~{H}-indazole-3-carboxamide
Formula:	C25 H33 N5 O4
SMILES:	CNC(=O)C[CH](NC(=O)[CH]1CCC[CH]1NC(=O)c2n[nH]c3CCCCc23)c4ccccc4OC
InChi:	InChI=1S/C25H33N5O4/c1-26-22(31)14-20(15-8-4-6-13-21(15)34-2)28-24(32)17-10-7-12-18(17)27-25(33)23-16-9-3-5-11-19(16)29-30-23/h4,6,8,13,17-18,20H,3,5,7,9-12,14H2,1-2H3,(H,26,31)(H,27,33)(H,28,32)(H,29,30)/t17-,18-,20+/m1/s1
Definition date:	2025-03-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N}-[(1~{R},2~{R})-2-[[(1~{S})-1-(2-methoxyphenyl)-3-(methylamino)-3-oxidanylidene-propyl]carbamoyl]cyclopentyl]-4,5,6,7-tetrahydro-1~{H}-indazole-3-carboxamide

A1IJE

A1IJE
Name:	(4~{S})-4-azanyl-4-[1-(2-hydroxy-2-oxoethyl)-5-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4~{H}-imidazol-2-yl]butanoic acid
Formula:	C16 H17 N3 O6
SMILES:	N[CH](CCC(O)=O)C1=N[CH](C=C2C=CC(=O)C=C2)C(=O)N1CC(O)=O
InChi:	InChI=1S/C16H17N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7,11-12H,5-6,8,17H2,(H,21,22)(H,23,24)/t11-,12?/m0/s1
Definition date:	2024-07-29
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	(4~{S})-4-azanyl-4-[1-(2-hydroxy-2-oxoethyl)-5-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4~{H}-imidazol-2-yl]butanoic acid

A1JDF

A1JDF
Name:	~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide
Formula:	C26 H25 F N6 O3 S
SMILES:	Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3cnn(C4CC4)c23)[S](=O)(=O)c5cc(C)c6n[nH]cc6c5
InChi:	InChI=1S/C26H25FN6O3S/c1-14-8-19(9-17-11-29-31-24(14)17)37(35,36)23-10-22(32(3)15(23)2)26(34)28-13-20-21(27)7-4-16-12-30-33(25(16)20)18-5-6-18/h4,7-12,18H,5-6,13H2,1-3H3,(H,28,34)(H,29,31)
Definition date:	2025-05-15
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide

6NA

6NA
Name:	HEXANOIC ACID
Formula:	C6 H12 O2
SMILES:	O=C(O)CCCCC
InChi:	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
Definition date:	2006-07-05
Last modified:	2025-08-21
Identifier:	hexanoic acid

A1A0Q

A1A0Q
Name:	1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5,5-dimethylpyrrolidin-2-one
Formula:	C16 H16 F N5 O
SMILES:	Fc1ccc2c3c(ncnc3[NH]c2c1)NN1C(=O)CCC1(C)C
InChi:	InChI=1S/C16H16FN5O/c1-16(2)6-5-12(23)22(16)21-15-13-10-4-3-9(17)7-11(10)20-14(13)18-8-19-15/h3-4,7-8H,5-6H2,1-2H3,(H2,18,19,20,21)
Definition date:	2024-08-02
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5,5-dimethylpyrrolidin-2-one

A1A0R

A1A0R
Name:	(5R)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one
Formula:	C20 H16 F N5 O
SMILES:	Fc1ccc2c3c(ncnc3[NH]c2c1)NN1C(=O)CCC1c1ccccc1
InChi:	InChI=1S/C20H16FN5O/c21-13-6-7-14-15(10-13)24-19-18(14)20(23-11-22-19)25-26-16(8-9-17(26)27)12-4-2-1-3-5-12/h1-7,10-11,16H,8-9H2,(H2,22,23,24,25)/t16-/m1/s1
Definition date:	2024-08-02
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(5R)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one

A1A0Z

A1A0Z
Name:	(5S)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one
Formula:	C20 H16 F N5 O
SMILES:	Fc1ccc2c3c(ncnc3[NH]c2c1)NN1C(=O)CCC1c1ccccc1
InChi:	InChI=1S/C20H16FN5O/c21-13-6-7-14-15(10-13)24-19-18(14)20(23-11-22-19)25-26-16(8-9-17(26)27)12-4-2-1-3-5-12/h1-7,10-11,16H,8-9H2,(H2,22,23,24,25)/t16-/m0/s1
Definition date:	2024-08-02
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(5S)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one

A1A1U

A1A1U
Name:	(4R)-1-[(2S)-2-{4-[(1S,4S)-4-({4-[(12'S)-4'-chloro-5'-oxo-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-10'-yl]piperidin-1-yl}methyl)cyclohexyl]-1H-1,2,3-triazol-1-yl}-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-(morpholin-4-yl)ethyl]-L-prolinamide
Formula:	C61 H75 Cl N10 O5 S
SMILES:	Clc1cccc2c1C(=O)N=C1N2c2cc(ccc2C21CCCCC2)C1CCN(CC1)CC1CCC(CC1)c1cn(nn1)C(C(=O)N1CC(O)CC1C(=O)NC(CN1CCOCC1)c1ccc(cc1)c1scnc1C)C(C)(C)C
InChi:	InChI=1S/C61H75ClN10O5S/c1-38-54(78-37-63-38)43-17-15-41(16-18-43)48(35-69-27-29-77-30-28-69)64-56(74)52-32-45(73)34-70(52)58(76)55(60(2,3)4)71-36-49(66-67-71)42-13-11-39(12-14-42)33-68-25-21-40(22-26-68)44-19-20-46-51(31-44)72-50-10-8-9-47(62)53(50)57(75)65-59(72)61(46)23-6-5-7-24-61/h8-10,15-20,31,36-37,39-40,42,45,48,52,55,73H,5-7,11-14,21-30,32-35H2,1-4H3,(H,64,74)/t39-,42-,45-,48+,52+,55-/m1/s1
Definition date:	2024-08-13
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(4R)-1-[(2S)-2-{4-[(1S,4S)-4-({4-[(12'S)-4'-chloro-5'-oxo-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-10'-yl]piperidin-1-yl}methyl)cyclohexyl]-1H-1,2,3-triazol-1-yl}-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-(morpholin-4-yl)ethyl]-L-prolinamide

A1A7A

A1A7A
Name:	(2R)-2-[(8-amino-9H-pyrimido[4,5-b]indol-4-yl)amino]-3-methylbutan-1-ol
Formula:	C15 H19 N5 O
SMILES:	CC(C)C(CO)Nc1ncnc2[NH]c3c(cccc3N)c12
InChi:	InChI=1S/C15H19N5O/c1-8(2)11(6-21)19-14-12-9-4-3-5-10(16)13(9)20-15(12)18-7-17-14/h3-5,7-8,11,21H,6,16H2,1-2H3,(H2,17,18,19,20)/t11-/m0/s1
Definition date:	2024-09-17
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(2R)-2-[(8-amino-9H-pyrimido[4,5-b]indol-4-yl)amino]-3-methylbutan-1-ol

A1A7B

A1A7B
Name:	(5S)-1-[(9H-pyrimido[4,5-b]indol-4-yl)amino]-5-(thiophen-2-yl)pyrrolidin-2-one
Formula:	C18 H15 N5 O S
SMILES:	O=C1CCC(N1Nc1ncnc2[NH]c3ccccc3c21)c1cccs1
InChi:	InChI=1S/C18H15N5OS/c24-15-8-7-13(14-6-3-9-25-14)23(15)22-18-16-11-4-1-2-5-12(11)21-17(16)19-10-20-18/h1-6,9-10,13H,7-8H2,(H2,19,20,21,22)/t13-/m0/s1
Definition date:	2024-09-17
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(5S)-1-[(9H-pyrimido[4,5-b]indol-4-yl)amino]-5-(thiophen-2-yl)pyrrolidin-2-one

A1A7E

A1A7E
Name:	(5S)-1-[(6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one
Formula:	C16 H14 Cl N5 O
SMILES:	Clc1cc2c(ncnc2[NH]1)NN1C(=O)CCC1c1ccccc1
InChi:	InChI=1S/C16H14ClN5O/c17-13-8-11-15(20-13)18-9-19-16(11)21-22-12(6-7-14(22)23)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2,(H2,18,19,20,21)/t12-/m0/s1
Definition date:	2024-09-17
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(5S)-1-[(6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one

A1A7F

A1A7F
Name:	(5S)-1-[(6-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one
Formula:	C16 H14 Br N5 O
SMILES:	Brc1cc2c(ncnc2[NH]1)NN1C(=O)CCC1c1ccccc1
InChi:	InChI=1S/C16H14BrN5O/c17-13-8-11-15(20-13)18-9-19-16(11)21-22-12(6-7-14(22)23)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2,(H2,18,19,20,21)/t12-/m0/s1
Definition date:	2024-09-17
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(5S)-1-[(6-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one

A1BJQ

A1BJQ
Name:	5-ethyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C14 H19 F3 N4
SMILES:	FC(F)(F)CC(C)(C)CNc1ncnc2[NH]cc(CC)c21
InChi:	InChI=1S/C14H19F3N4/c1-4-9-5-18-11-10(9)12(21-8-20-11)19-7-13(2,3)6-14(15,16)17/h5,8H,4,6-7H2,1-3H3,(H2,18,19,20,21)
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	5-ethyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

A1BJR

A1BJR
Name:	7-fluoro-N-[(3R)-oxolan-3-yl]-9H-pyrimido[4,5-b]indol-4-amine
Formula:	C14 H13 F N4 O
SMILES:	Fc1ccc2c3c(ncnc3[NH]c2c1)NC1CCOC1
InChi:	InChI=1S/C14H13FN4O/c15-8-1-2-10-11(5-8)19-14-12(10)13(16-7-17-14)18-9-3-4-20-6-9/h1-2,5,7,9H,3-4,6H2,(H2,16,17,18,19)/t9-/m1/s1
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	7-fluoro-N-[(3R)-oxolan-3-yl]-9H-pyrimido[4,5-b]indol-4-amine

A1BJU

A1BJU
Name:	1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid
Formula:	C10 H8 Br Cl O2
SMILES:	OC(=O)C1(CC1)c1cc(Br)c(Cl)cc1
InChi:	InChI=1S/C10H8BrClO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid

A1BJV

A1BJV
Name:	(4R)-4-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1-propylpyrrolidin-2-one
Formula:	C18 H20 F N5 O
SMILES:	CCCN1CC(CNc2ncnc3[NH]c4cc(F)ccc4c32)CC1=O
InChi:	InChI=1S/C18H20FN5O/c1-2-5-24-9-11(6-15(24)25)8-20-17-16-13-4-3-12(19)7-14(13)23-18(16)22-10-21-17/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H2,20,21,22,23)/t11-/m1/s1
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(4R)-4-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1-propylpyrrolidin-2-one

A1BJY

A1BJY
Name:	N-[(1R)-2,2-dimethylcyclopentyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C15 H22 N4
SMILES:	CC1(C)CCCC1Nc1ncnc2[NH]c(C)c(C)c21
InChi:	InChI=1S/C15H22N4/c1-9-10(2)18-13-12(9)14(17-8-16-13)19-11-6-5-7-15(11,3)4/h8,11H,5-7H2,1-4H3,(H2,16,17,18,19)/t11-/m1/s1
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	N-[(1R)-2,2-dimethylcyclopentyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

A1BJZ

A1BJZ
Name:	3-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol
Formula:	C11 H13 N3 O
SMILES:	C=C(CCO)c1ncnc2[NH]c(C)cc12
InChi:	InChI=1S/C11H13N3O/c1-7(3-4-15)10-9-5-8(2)14-11(9)13-6-12-10/h5-6,15H,1,3-4H2,2H3,(H,12,13,14)
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	3-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol

A1BKA

A1BKA
Name:	9-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Formula:	C15 H13 F N4 O
SMILES:	Fc1cccc2CN(CCOc12)c1ncnc2[NH]ccc21
InChi:	InChI=1S/C15H13FN4O/c16-12-3-1-2-10-8-20(6-7-21-13(10)12)15-11-4-5-17-14(11)18-9-19-15/h1-5,9H,6-8H2,(H,17,18,19)
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	9-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

A1BKB

A1BKB
Name:	1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclopropane-1-carboxamide
Formula:	C15 H14 Br N5 O
SMILES:	NC(=O)C1(CC1)CNc1ncnc2[NH]c3cc(Br)ccc3c12
InChi:	InChI=1S/C15H14BrN5O/c16-8-1-2-9-10(5-8)21-13-11(9)12(19-7-20-13)18-6-15(3-4-15)14(17)22/h1-2,5,7H,3-4,6H2,(H2,17,22)(H2,18,19,20,21)
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclopropane-1-carboxamide

A1BKE

A1BKE
Name:	(1S,2S)-N-[3,5-difluoro-4-(methanesulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide
Formula:	C16 H14 F2 N2 O3 S
SMILES:	CS(=O)(=O)c1c(F)cc(cc1F)NC(=O)C1CC1c1cccnc1
InChi:	InChI=1S/C16H14F2N2O3S/c1-24(22,23)15-13(17)5-10(6-14(15)18)20-16(21)12-7-11(12)9-3-2-4-19-8-9/h2-6,8,11-12H,7H2,1H3,(H,20,21)/t11-,12+/m1/s1
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(1S,2S)-N-[3,5-difluoro-4-(methanesulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide

A1BKF

A1BKF
Name:	6-{[(3-ethylphenyl)methyl]sulfanyl}-9H-purine
Formula:	C14 H14 N4 S
SMILES:	CCc1cccc(c1)CSc1ncnc2[NH]cnc21
InChi:	InChI=1S/C14H14N4S/c1-2-10-4-3-5-11(6-10)7-19-14-12-13(16-8-15-12)17-9-18-14/h3-6,8-9H,2,7H2,1H3,(H,15,16,17,18)
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	6-{[(3-ethylphenyl)methyl]sulfanyl}-9H-purine

A1BKP

A1BKP
Name:	7-fluoro-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-9H-pyrimido[4,5-b]indol-4-amine
Formula:	C16 H14 F N5 S
SMILES:	Fc1ccc2c3c(ncnc3[NH]c2c1)NC(CC)c1nccs1
InChi:	InChI=1S/C16H14FN5S/c1-2-11(16-18-5-6-23-16)21-14-13-10-4-3-9(17)7-12(10)22-15(13)20-8-19-14/h3-8,11H,2H2,1H3,(H2,19,20,21,22)/t11-/m1/s1
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	7-fluoro-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-9H-pyrimido[4,5-b]indol-4-amine

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