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A1IRE

A1IRE
Name:	6-chloranyl-2-ethyl-N-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
Formula:	C24 H24 Cl F3 N4 O3 S
SMILES:	CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)C4CC5(C4)CN(C5)[S](=O)(=O)C(F)(F)F
InChi:	InChI=1S/C24H24ClF3N4O3S/c1-2-19-21(32-12-18(25)7-8-20(32)30-19)22(33)29-11-15-3-5-16(6-4-15)17-9-23(10-17)13-31(14-23)36(34,35)24(26,27)28/h3-8,12,17H,2,9-11,13-14H2,1H3,(H,29,33)
Definition date:	2024-10-04
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	6-chloranyl-2-ethyl-~{N}-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

A1L0A

A1L0A
Name:	1-(4-fluorophenyl)-6-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:	C27 H34 F N5 O4
SMILES:	CCC(CC)c1nn(c2ccc(F)cc2)c3nc(cc(C(O)=O)c13)N4CCN(CC4)C(=O)OCC(C)C
InChi:	InChI=1S/C27H34FN5O4/c1-5-18(6-2)24-23-21(26(34)35)15-22(29-25(23)33(30-24)20-9-7-19(28)8-10-20)31-11-13-32(14-12-31)27(36)37-16-17(3)4/h7-10,15,17-18H,5-6,11-14,16H2,1-4H3,(H,34,35)
Definition date:	2024-04-06
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	1-(4-fluorophenyl)-6-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid

TOE

TOE
Name:	2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL
Formula:	C7 H16 O4
SMILES:	OCCOCCOCCOC
InChi:	InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
Definition date:	1999-07-08
Last modified:	2025-04-03
Identifier:	2-[2-(2-methoxyethoxy)ethoxy]ethanol

A1I67

A1I67
Name:	(2~{R},3~{S},6~{R},7~{S})-7-[(1~{S})-1-azanyl-3-methyl-butyl]-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepane-3-carbaldehyde
Formula:	C13 H26 N2 O5
SMILES:	CC(C)C[CH](N)[C]1(O)O[CH](C)[CH](NC[C]1(C)O)C(O)=O
InChi:	InChI=1S/C13H26N2O5/c1-7(2)5-9(14)13(19)12(4,18)6-15-10(11(16)17)8(3)20-13/h7-10,15,18-19H,5-6,14H2,1-4H3,(H,16,17)/t8-,9+,10+,12-,13+/m1/s1
Definition date:	2025-03-20
Last modified:	2025-04-03
Release date:	2025-04-02
Identifier:	(2~{R},3~{S},6~{R},7~{S})-7-[(1~{S})-1-azanyl-3-methyl-butyl]-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepane-3-carboxylic acid

DCY

DCY
Name:	D-CYSTEINE
Formula:	C3 H7 N O2 S
SMILES:	O=C(O)C(N)CS
InChi:	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2025-04-03
Identifier:	D-cysteine

A1A2Q

A1A2Q
Name:	N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine
Formula:	C15 H19 F3 N6 S
SMILES:	NC1CCC(CC1)CNc1nc(Nc2ncc(s2)C(F)(F)F)ccn1
InChi:	InChI=1S/C15H19F3N6S/c16-15(17,18)11-8-22-14(25-11)24-12-5-6-20-13(23-12)21-7-9-1-3-10(19)4-2-9/h5-6,8-10H,1-4,7,19H2,(H2,20,21,22,23,24)/t9-,10+
Definition date:	2024-08-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	N~2~-{[(1s,4s)-4-aminocyclohexyl]methyl}-N~4~-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-2,4-diamine

A1A2R

A1A2R
Name:	2-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]acetamide
Formula:	C18 H19 N7 O S
SMILES:	N#CCC(=O)NC12CC(C1)(C2)Nc1nc(Nc2ncc(s2)C2CC2)cnc1
InChi:	InChI=1S/C18H19N7OS/c19-4-3-15(26)25-18-8-17(9-18,10-18)24-14-7-20-6-13(22-14)23-16-21-5-12(27-16)11-1-2-11/h5-7,11H,1-3,8-10H2,(H,25,26)(H2,21,22,23,24)/t17-,18+
Definition date:	2024-08-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	2-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]acetamide

A1A2S

A1A2S
Name:	N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
Formula:	C23 H27 Cl N6 S
SMILES:	Clc1cccc(c1)C1CC(CCC1N)CNc1nc(Nc2ncc(s2)C2CC2)ccn1
InChi:	InChI=1S/C23H27ClN6S/c24-17-3-1-2-16(11-17)18-10-14(4-7-19(18)25)12-27-22-26-9-8-21(29-22)30-23-28-13-20(31-23)15-5-6-15/h1-3,8-9,11,13-15,18-19H,4-7,10,12,25H2,(H2,26,27,28,29,30)/t14-,18-,19+/m1/s1
Definition date:	2024-08-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	N~2~-{[(1R,3R,4S)-4-amino-3-(3-chlorophenyl)cyclohexyl]methyl}-N~4~-(5-cyclopropyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine

A1A2T

A1A2T
Name:	3-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]azetidine-3-carboxamide
Formula:	C20 H22 N8 O S
SMILES:	N#CC1(CNC1)C(=O)NC12CC(C1)(C2)Nc1nc(Nc2ncc(s2)C2CC2)cnc1
InChi:	InChI=1S/C20H22N8OS/c21-9-18(10-23-11-18)16(29)28-20-6-19(7-20,8-20)27-15-5-22-4-14(25-15)26-17-24-3-13(30-17)12-1-2-12/h3-5,12,23H,1-2,6-8,10-11H2,(H,28,29)(H2,24,25,26,27)/t19-,20+
Definition date:	2024-08-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	3-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]azetidine-3-carboxamide

A1AFU

A1AFU
Name:	2-bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8beta-carboxamide
Formula:	C20 H24 Br N3 O
SMILES:	CCN(CC)C(=O)C1C=C2C(Cc3c(Br)[NH]c4cccc2c34)N(C)C1
InChi:	InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
Definition date:	2024-02-26
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	2-bromo-N,N-diethyl-6-methyl-9,10-didehydroergoline-8beta-carboxamide

A1AFV

A1AFV
Name:	2-(1H-indol-3-yl)-N,N-dimethylethan-1-amine
Formula:	C12 H16 N2
SMILES:	CN(C)CCc1c[NH]c2ccccc21
InChi:	InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
Definition date:	2024-02-26
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	2-(1H-indol-3-yl)-N,N-dimethylethan-1-amine

A1AFX

A1AFX
Name:	2,5-dimethoxy-N,N-dimethyl-4-{2-[({2-[(prop-2-yn-1-yl)oxy]phenyl}methyl)amino]ethyl}aniline
Formula:	C22 H28 N2 O3
SMILES:	COc1cc(CCNCc2ccccc2OCC#C)c(cc1N(C)C)OC
InChi:	InChI=1S/C22H28N2O3/c1-6-13-27-20-10-8-7-9-18(20)16-23-12-11-17-14-22(26-5)19(24(2)3)15-21(17)25-4/h1,7-10,14-15,23H,11-13,16H2,2-5H3
Definition date:	2024-02-26
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	2,5-dimethoxy-N,N-dimethyl-4-{2-[({2-[(prop-2-yn-1-yl)oxy]phenyl}methyl)amino]ethyl}aniline

X9L

X9L
Name:	5'-S-(2-{[(3-bromophenyl)methyl]amino}ethyl)-5'-thioadenosine
Formula:	C19 H23 Br N6 O3 S
SMILES:	Brc1cccc(c1)CNCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C19H23BrN6O3S/c20-12-3-1-2-11(6-12)7-22-4-5-30-8-13-15(27)16(28)19(29-13)26-10-25-14-17(21)23-9-24-18(14)26/h1-3,6,9-10,13,15-16,19,22,27-28H,4-5,7-8H2,(H2,21,23,24)/t13-,15-,16-,19-/m1/s1
Definition date:	2023-10-26
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	5'-S-(2-{[(3-bromophenyl)methyl]amino}ethyl)-5'-thioadenosine

A1ATA

A1ATA
Name:	(3S)-1-[4-(5-carbamimidamidopentanoyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide
Formula:	C23 H31 Cl F N7 O3
SMILES:	O=C(N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1)N1CCN(CC1)C(=O)C1CCCN1C(=N)N
InChi:	InChI=1S/C23H31ClFN7O3/c24-17-6-5-16(13-18(17)25)28-20(33)15-3-1-7-31(14-15)23(35)30-11-9-29(10-12-30)21(34)19-4-2-8-32(19)22(26)27/h5-6,13,15,19H,1-4,7-12,14H2,(H3,26,27)(H,28,33)/t15-,19-/m0/s1
Definition date:	2024-05-28
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	(3S)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide

A1ATE

A1ATE
Name:	(3S,5R)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)piperidine-3-carboxamide
Formula:	C24 H33 Cl F N7 O4
SMILES:	O=C(N1CC(CC(CO)C1)C(=O)Nc1ccc(Cl)c(F)c1)N1CCN(CC1)C(=O)C1CCCN1C(=N)N
InChi:	InChI=1S/C24H33ClFN7O4/c25-18-4-3-17(11-19(18)26)29-21(35)16-10-15(14-34)12-32(13-16)24(37)31-8-6-30(7-9-31)22(36)20-2-1-5-33(20)23(27)28/h3-4,11,15-16,20,34H,1-2,5-10,12-14H2,(H3,27,28)(H,29,35)/t15-,16+,20+/m1/s1
Definition date:	2024-05-28
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	(3S,5R)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)piperidine-3-carboxamide

A1ATZ

A1ATZ
Name:	(2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid
Formula:	C28 H21 Cl N2 O5
SMILES:	Clc1ccc(cc1COc1ccccc1C(Nc1cc2NC(=O)Oc2cc1)C(=O)O)c1ccccc1
InChi:	InChI=1S/C28H21ClN2O5/c29-22-12-10-18(17-6-2-1-3-7-17)14-19(22)16-35-24-9-5-4-8-21(24)26(27(32)33)30-20-11-13-25-23(15-20)31-28(34)36-25/h1-15,26,30H,16H2,(H,31,34)(H,32,33)/t26-/m0/s1
Definition date:	2024-05-31
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	(2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid

A1B04

A1B04
Name:	N-[2-(1,3-oxazol-4-yl)ethyl]benzamide
Formula:	C12 H12 N2 O2
SMILES:	O=C(NCCc1cocn1)c1ccccc1
InChi:	InChI=1S/C12H12N2O2/c15-12(10-4-2-1-3-5-10)13-7-6-11-8-16-9-14-11/h1-5,8-9H,6-7H2,(H,13,15)
Definition date:	2025-03-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	N-[2-(1,3-oxazol-4-yl)ethyl]benzamide

A1B07

A1B07
Name:	N-{2-chloro-4-methyl-6-[(pyrimidin-2-yl)methoxy]phenyl}-2-methoxyacetamide
Formula:	C15 H16 Cl N3 O3
SMILES:	COCC(=O)Nc1c(OCc2ncccn2)cc(C)cc1Cl
InChi:	InChI=1S/C15H16ClN3O3/c1-10-6-11(16)15(19-14(20)9-21-2)12(7-10)22-8-13-17-4-3-5-18-13/h3-7H,8-9H2,1-2H3,(H,19,20)
Definition date:	2025-03-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	N-{2-chloro-4-methyl-6-[(pyrimidin-2-yl)methoxy]phenyl}-2-methoxyacetamide

A1B08

A1B08
Name:	(3S)-N~1~-[3-(ethylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
Formula:	C16 H22 N4 O3
SMILES:	O=C(Nc1cc(ccc1)C(=O)NCC)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C16H22N4O3/c1-2-18-15(22)11-5-3-7-13(9-11)19-16(23)20-8-4-6-12(10-20)14(17)21/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H2,17,21)(H,18,22)(H,19,23)/t12-/m0/s1
Definition date:	2025-03-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	(3S)-N~1~-[3-(ethylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide

A1B09

A1B09
Name:	1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethan-1-one
Formula:	C13 H17 N O3
SMILES:	OC1CCN(C1)C(=O)Cc1ccccc1OC
InChi:	InChI=1S/C13H17NO3/c1-17-12-5-3-2-4-10(12)8-13(16)14-7-6-11(15)9-14/h2-5,11,15H,6-9H2,1H3
Definition date:	2025-03-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethan-1-one

A1B0N

A1B0N
Name:	2-(1H-pyrrol-1-yl)pyridin-3-amine
Formula:	C9 H9 N3
SMILES:	Nc1cccnc1n1cccc1
InChi:	InChI=1S/C9H9N3/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h1-7H,10H2
Definition date:	2025-03-13
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	2-(1H-pyrrol-1-yl)pyridin-3-amine

A1B0O

A1B0O
Name:	(3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one
Formula:	C12 H14 F N O2
SMILES:	CN1CCC(Oc2cccc(C)c2F)C1=O
InChi:	InChI=1S/C12H14FNO2/c1-8-4-3-5-9(11(8)13)16-10-6-7-14(2)12(10)15/h3-5,10H,6-7H2,1-2H3
Definition date:	2025-03-13
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	(3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one

A1B0P

A1B0P
Name:	[(2R,3R)-1-(methanesulfonyl)-2-methylpiperidin-3-yl](pyrrolidin-1-yl)methanone
Formula:	C12 H22 N2 O3 S
SMILES:	O=S(C)(=O)N1CCCC(C(=O)N2CCCC2)C1C
InChi:	InChI=1S/C12H22N2O3S/c1-10-11(12(15)13-7-3-4-8-13)6-5-9-14(10)18(2,16)17/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
Definition date:	2025-03-16
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	[(2R,3R)-1-(methanesulfonyl)-2-methylpiperidin-3-yl](pyrrolidin-1-yl)methanone

A1B1A

A1B1A
Name:	(3S)-N~1~-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
Formula:	C15 H21 N3 O2
SMILES:	O=C(NCc1cccc(C)c1)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C15H21N3O2/c1-11-4-2-5-12(8-11)9-17-15(20)18-7-3-6-13(10-18)14(16)19/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,16,19)(H,17,20)/t13-/m0/s1
Definition date:	2025-03-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	(3S)-N~1~-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide

A1B1B

A1B1B
Name:	(3S)-1-[(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxamide
Formula:	C15 H19 Cl N2 O3
SMILES:	O=C(Cc1c(OC)cccc1Cl)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C15H19ClN2O3/c1-21-13-6-2-5-12(16)11(13)8-14(19)18-7-3-4-10(9-18)15(17)20/h2,5-6,10H,3-4,7-9H2,1H3,(H2,17,20)/t10-/m0/s1
Definition date:	2025-03-19
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	(3S)-1-[(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxamide

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