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NFT

NFT
Name:	N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE
Formula:	C22 H29 F3 N4 O3 S
SMILES:	O=S(=O)(N)c2ccc(c1ccc(cc1)C(NC(C(=O)NCCN)CC(C)C)C(F)(F)F)cc2
InChi:	InChI=1S/C22H29F3N4O3S/c1-14(2)13-19(21(30)28-12-11-26)29-20(22(23,24)25)17-5-3-15(4-6-17)16-7-9-18(10-8-16)33(27,31)32/h3-10,14,19-20,29H,11-13,26H2,1-2H3,(H,28,30)(H2,27,31,32)/t19-,20-/m0/s1
Definition date:	2007-03-21
Last modified:	2024-09-27
Identifier:	N-(2-aminoethyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4'-sulfamoylbiphenyl-4-yl)ethyl]-L-leucinamide

RIB

RIB
Name:	alpha-D-ribofuranose
Formula:	C5 H10 O5
SMILES:	OC1C(OC(O)C1O)CO
InChi:	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
Synonyms:	alpha-D-ribose
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	alpha-D-ribofuranose

ZCQ

ZCQ
Name:	3-nitrophenol
Formula:	C6 H5 N O3
SMILES:	O=[N+]([O-])c1cccc(O)c1
InChi:	InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
Definition date:	2012-12-17
Last modified:	2024-09-27
Release date:	2019-08-28
Identifier:	3-nitrophenol

SBL

SBL
Name:	L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
Formula:	C17 H22 B N2 O6
SMILES:	O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12
InChi:	InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

KLZ

KLZ
Name:	4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
Formula:	C10 H9 Cl N2 S2
SMILES:	NC(=N)c1sc2cc(CS)cc(Cl)c2c1
InChi:	InChI=1S/C10H9ClN2S2/c11-7-1-5(4-14)2-8-6(7)3-9(15-8)10(12)13/h1-3,14H,4H2,(H3,12,13)
Definition date:	2019-06-06
Last modified:	2024-09-27
Release date:	2020-06-17
Identifier:	4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide

R4K

R4K
Name:	(2S,3R)-2-azanyl-3-hydroxy-3-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propanoic acid
Formula:	C11 H12 N2 O5
SMILES:	O=C(O)C(N)C(O)C2(O)c1ccccc1NC2=O
InChi:	InChI=1S/C11H12N2O5/c12-7(9(15)16)8(14)11(18)5-3-1-2-4-6(5)13-10(11)17/h1-4,7-8,14,18H,12H2,(H,13,17)(H,15,16)/t7-,8+,11-/m0/s1
Definition date:	2011-03-25
Last modified:	2024-09-27
Identifier:	(3R)-3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-serine

T4V

T4V
Name:	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C17 H20 N2 O
SMILES:	N1(CCN(CC1)C(C)=O)Cc2cccc3ccccc23
InChi:	InChI=1S/C17H20N2O/c1-14(20)19-11-9-18(10-12-19)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-13H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one

A1APQ

A1APQ
Name:	(4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
Formula:	C23 H23 N5 O4
SMILES:	OC1(C#Cc2ccc3C4CC(C4)n4c(C(=O)NC)c(nc4c3c2)C(N)=O)CCN(C)C1=O
InChi:	InChI=1S/C23H23N5O4/c1-25-21(30)18-17(19(24)29)26-20-16-9-12(5-6-23(32)7-8-27(2)22(23)31)3-4-15(16)13-10-14(11-13)28(18)20/h3-4,9,13-14,32H,7-8,10-11H2,1-2H3,(H2,24,29)(H,25,30)/t13-,14+,23-/m0/s1
Definition date:	2024-04-25
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	(4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide

A1APR

A1APR
Name:	(9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one
Formula:	C23 H23 F N8 O
SMILES:	Cc1c(N)cncc1c1cc2cc(ncc2c(N)c1F)Nc1cc2CCN(C)C(=O)Cn2n1
InChi:	InChI=1S/C23H23FN8O/c1-12-16(8-27-10-18(12)25)15-5-13-6-19(28-9-17(13)23(26)22(15)24)29-20-7-14-3-4-31(2)21(33)11-32(14)30-20/h5-10H,3-4,11,25-26H2,1-2H3,(H,28,29,30)
Definition date:	2024-04-25
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	(9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one

T4W

T4W
Name:	2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C16 H14 N2 O S2
SMILES:	SCCNC(=O)c1ccccc1Sc2ccccc2C#N
InChi:	InChI=1S/C16H14N2OS2/c17-11-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16(19)18-9-10-20/h1-8,20H,9-10H2,(H,18,19)
Definition date:	2020-12-15
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide

ZUK

ZUK
Name:	5-pyrimidin-2-yl-D-norvaline
Formula:	C9 H13 N3 O2
SMILES:	O=C(O)C(N)CCCc1ncccn1
InChi:	InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1
Definition date:	2009-07-31
Last modified:	2024-09-27
Identifier:	5-pyrimidin-2-yl-D-norvaline

SBP

SBP
Name:	[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
Formula:	C6 H15 B N3 O3
SMILES:	O(B1OCCO1)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1
Definition date:	2004-01-26
Last modified:	2024-09-27
Identifier:	amino{[3-(1,3,2-dioxaborolan-2-yloxy)propyl]amino}methaniminium

T4Y

T4Y
Name:	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one
Formula:	C15 H22 N2 O
SMILES:	N2(CCCN(Cc1ccccc1C)CC2)C(=O)C
InChi:	InChI=1S/C15H22N2O/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(11-10-16)14(2)18/h3-4,6-7H,5,8-12H2,1-2H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one

T4Z

T4Z
Name:	2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide
Formula:	C11 H14 Cl N O S2
SMILES:	SCCCNC(=O)CSc1ccc(Cl)cc1
InChi:	InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14)
Definition date:	2020-12-15
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide

RIL

RIL
Name:	[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE
Formula:	C12 H23 O5 P
SMILES:	O=P(OCC1OC(OC1)(C)C)(O)CCCCC=C
InChi:	InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m0/s1
Synonyms:	O-[(R)-1,2,-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE
Definition date:	2003-10-16
Last modified:	2024-09-27
Identifier:	[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (S)-hex-5-en-1-ylphosphonate

QQJ

QQJ
Name:	N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
Formula:	C25 H24 F N5 O2 S
SMILES:	c1(ccc(cc1)c4c(c3cc(Nc2c(ccc(c2)NC(=O)CC)OC)ncc3)nc(n4)SC)F
InChi:	InChI=1S/C25H24FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h5-14H,4H2,1-3H3,(H,27,29)(H,28,32)(H,30,31)
Definition date:	2019-12-09
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide

KM6

KM6
Name:	2-(4-chlorophenyl)-1,3,4-oxadiazole
Formula:	C8 H5 Cl N2 O
SMILES:	Clc1ccc(cc1)c2ocnn2
InChi:	InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
Definition date:	2022-09-27
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	2-(4-chlorophenyl)-1,3,4-oxadiazole

LF7

LF7
Name:	2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne
Formula:	C17 H27 N3 O2
SMILES:	O=C(N1C(CCC1)C=N)CNC24CC3CC(C2)CC(C3)(O)C4
InChi:	InChI=1S/C17H27N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h9,12-14,18-19,22H,1-8,10-11H2/b18-9+/t12-,13+,14-,16+,17-/m0/s1
Synonyms:	Vildagliptin, bound form
Definition date:	2012-12-11
Last modified:	2024-09-27
Release date:	2013-05-15
Identifier:	2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-one

PWQ

PWQ
Name:	4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid
Formula:	C12 H12 N2 O4
SMILES:	OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O
InChi:	InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+
Definition date:	2020-04-30
Last modified:	2024-09-27
Release date:	2021-01-20
Identifier:	4-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid

R4R

R4R
Name:	4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form
Formula:	C24 H27 N3 O2
SMILES:	CN1CCN(CC1)c1ccc(cc1)c1cccc2n(cc(C=O)c21)C(=O)C(C)C
InChi:	InChI=1S/C24H27N3O2/c1-17(2)24(29)27-15-19(16-28)23-21(5-4-6-22(23)27)18-7-9-20(10-8-18)26-13-11-25(3)12-14-26/h4-10,15-17H,11-14H2,1-3H3
Definition date:	2022-06-16
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde

T51

T51
Name:	N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide
Formula:	C34 H35 N5 O5
SMILES:	O=[N+](c1cc(ccc1)C(=O)Nc2c(cccc2)OCc3ccccc3CNC(=O)c4ccc(cc4)CN5CCN(CC5)C)[O-]
InChi:	InChI=1S/C34H35N5O5/c1-37-17-19-38(20-18-37)23-25-13-15-26(16-14-25)33(40)35-22-28-7-2-3-8-29(28)24-44-32-12-5-4-11-31(32)36-34(41)27-9-6-10-30(21-27)39(42)43/h2-16,21H,17-20,22-24H2,1H3,(H,35,40)(H,36,41)
Definition date:	2015-09-30
Last modified:	2024-09-27
Release date:	2016-09-21
Identifier:	N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide

QQL

QQL
Name:	4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
Formula:	C24 H33 N5 O6
SMILES:	COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](CC[N+]([O-])=O)C[CH]3CCNC3=O
InChi:	InChI=1S/C24H33N5O6/c1-14(2)11-19(28-24(32)20-13-17-18(27-20)5-4-6-21(17)35-3)23(31)26-16(8-10-29(33)34)12-15-7-9-25-22(15)30/h4-6,13-16,19,27H,7-12H2,1-3H3,(H,25,30)(H,26,31)(H,28,32)/t15-,16+,19-/m0/s1
Definition date:	2022-11-11
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide

V4F

V4F
Name:	8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid
Formula:	C12 H13 N2 O6 P
SMILES:	NCc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O
InChi:	InChI=1S/C12H13N2O6P/c13-5-7-2-1-3-8-10(20-6-21(17,18)19)4-9(12(15)16)14-11(7)8/h1-4H,5-6,13H2,(H,15,16)(H2,17,18,19)
Definition date:	2023-02-21
Last modified:	2024-09-27
Release date:	2023-07-19
Identifier:	8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid

V4H

V4H
Name:	4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde
Formula:	C13 H15 N O3
SMILES:	O[CH]1CCCN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H15NO3/c15-9-10-3-5-11(6-4-10)13(17)14-7-1-2-12(16)8-14/h3-6,9,12,16H,1-2,7-8H2/t12-/m1/s1
Definition date:	2021-04-12
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde

QQM

QQM
Name:	N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
Formula:	C27 H28 F N5 O3
SMILES:	c4c(ccc(c1nc(CCCO)nc1c2cc(ncc2)Nc3c(ccc(NC(CC)=O)c3)OC)c4)F
InChi:	InChI=1S/C27H28FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h6-13,15-16,34H,3-5,14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33)
Definition date:	2019-12-09
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide

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