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OJK

OJK
Name:	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
Formula:	C7 H8 Cl N O2
SMILES:	NCc1cc(O)c(Cl)cc1O
InChi:	InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2
Definition date:	2021-03-22
Last modified:	2024-09-27
Release date:	2021-03-31
Identifier:	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol

OJU

OJU
Name:	2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium
Formula:	C18 H33 Cl N5 O12 P2
SMILES:	C[N+](C)(CCCNC(=O)CCl)CCO[P](O)(=O)O[P](O)(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N
InChi:	InChI=1S/C18H32ClN5O12P2/c1-24(2,7-3-5-21-14(25)10-19)8-9-33-37(29,30)36-38(31,32)34-11-12-15(26)16(27)17(35-12)23-6-4-13(20)22-18(23)28/h4,6,12,15-17,26-27H,3,5,7-11H2,1-2H3,(H4-,20,21,22,25,28,29,30,31,32)/p+1
Synonyms:	Cytidine-diphosphate with a thiol-reactive chloroacetamide (cross-linker)
Definition date:	2022-09-13
Last modified:	2024-09-27
Release date:	2023-04-12
Identifier:	2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium

20G

20G
Name:	N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide
Formula:	C17 H22 Cl2 N2 O3 S
SMILES:	O=C(N1CCC(NC(=O)CCCS)CC1)COc2ccc(Cl)cc2Cl
InChi:	InChI=1S/C17H22Cl2N2O3S/c18-12-3-4-15(14(19)10-12)24-11-17(23)21-7-5-13(6-8-21)20-16(22)2-1-9-25/h3-4,10,13,25H,1-2,5-9,11H2,(H,20,22)
Definition date:	2013-08-12
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide

20H

20H
Name:	1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide
Formula:	C16 H20 Cl2 N2 O3 S
SMILES:	O=C(N1CCC(C(=O)NCCS)CC1)COc2ccc(Cl)cc2Cl
InChi:	InChI=1S/C16H20Cl2N2O3S/c17-12-1-2-14(13(18)9-12)23-10-15(21)20-6-3-11(4-7-20)16(22)19-5-8-24/h1-2,9,11,24H,3-8,10H2,(H,19,22)
Definition date:	2013-08-12
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide

OK3

OK3
Name:	(4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
Formula:	C17 H18 B N2 O6
SMILES:	NCc1ccc(cc1)C(=O)N[CH]2Cc3cccc(C(O)=O)c3O[B-]2(O)O
InChi:	InChI=1S/C17H18BN2O6/c19-9-10-4-6-11(7-5-10)16(21)20-14-8-12-2-1-3-13(17(22)23)15(12)26-18(14,24)25/h1-7,14,24-25H,8-9,19H2,(H,20,21)(H,22,23)/q-1/t14-/m0/s1
Definition date:	2015-12-08
Last modified:	2024-09-27
Release date:	2016-08-10
Identifier:	(4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid

OK9

OK9
Name:	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
Formula:	C16 H16 N2 O3 S2
SMILES:	O=CC(NC(=O)c1cccs1)=Cc1ccc(s1)N1CCOCC1
InChi:	InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10-
Definition date:	2023-08-17
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide

219

219
Name:	cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate
Formula:	C14 H19 O5 P
SMILES:	c1ccc(c(c1)OP(O)(OCC2CCCCC2)=O)C=O
InChi:	InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17)
Synonyms:	PAS219
Definition date:	2003-06-20
Last modified:	2024-09-27
Identifier:	cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate

21C

21C
Name:	N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C15 H21 Cl2 N3 O4 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2O
InChi:	InChI=1S/C15H21Cl2N3O4S/c1-2-25(23,24)19-10-3-5-20(6-4-10)15(22)9-18-13-7-11(16)12(17)8-14(13)21/h7-8,10,18-19,21H,2-6,9H2,1H3
Definition date:	2013-08-14
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

21F

21F
Name:	N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C16 H23 Cl I N3 O4 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(I)c(Cl)cc2OC
InChi:	InChI=1S/C16H23ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h8-9,11,19-20H,3-7,10H2,1-2H3
Definition date:	2013-08-15
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

OL1

OL1
Name:	7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
Formula:	C21 H24 N2 O3
SMILES:	n3c(c1oc(nc1)C(O)(O)CCCCCCc2ccccc2)cccc3
InChi:	InChI=1S/C21H24N2O3/c24-21(25,14-8-2-1-4-10-17-11-5-3-6-12-17)20-23-16-19(26-20)18-13-7-9-15-22-18/h3,5-7,9,11-13,15-16,24-25H,1-2,4,8,10,14H2
Definition date:	2009-05-19
Last modified:	2024-09-27
Identifier:	7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol

21I

21I
Name:	~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide
Formula:	C24 H25 N7 O2
SMILES:	CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)C5CCC5
InChi:	InChI=1S/C24H25N7O2/c1-2-22(32)26-17-11-15(23-20-8-3-4-9-21(20)28-29-23)10-16(12-17)24(33)25-13-18-14-31(30-27-18)19-6-5-7-19/h3-4,8-12,14,19H,2,5-7,13H2,1H3,(H,25,33)(H,26,32)(H,28,29)
Definition date:	2021-06-15
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide

21J

21J
Name:	N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
Formula:	C18 H24 Cl2 N2 O6 S
SMILES:	O=S(=O)(NC3CCN(C(=O)COc2c(Cl)cc(Cl)c1OC(Oc12)(C)C)CC3)CC
InChi:	InChI=1S/C18H24Cl2N2O6S/c1-4-29(24,25)21-11-5-7-22(8-6-11)14(23)10-26-15-12(19)9-13(20)16-17(15)28-18(2,3)27-16/h9,11,21H,4-8,10H2,1-3H3
Definition date:	2013-08-16
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide

21K

21K
Name:	N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C15 H21 Cl2 N3 O3 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2ccc(Cl)cc2Cl
InChi:	InChI=1S/C15H21Cl2N3O3S/c1-2-24(22,23)19-12-5-7-20(8-6-12)15(21)10-18-14-4-3-11(16)9-13(14)17/h3-4,9,12,18-19H,2,5-8,10H2,1H3
Definition date:	2013-08-19
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide

21M

21M
Name:	N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
Formula:	C15 H20 Cl2 N2 O4 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)COc2ccc(Cl)cc2Cl
InChi:	InChI=1S/C15H20Cl2N2O4S/c1-2-24(21,22)18-12-5-7-19(8-6-12)15(20)10-23-14-4-3-11(16)9-13(14)17/h3-4,9,12,18H,2,5-8,10H2,1H3
Definition date:	2013-08-19
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide

21R

21R
Name:	N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C17 H25 Cl2 N3 O3 S
SMILES:	O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2CC
InChi:	InChI=1S/C17H25Cl2N3O3S/c1-3-12-9-14(18)15(19)10-16(12)20-11-17(23)22-7-5-13(6-8-22)21-26(24,25)4-2/h9-10,13,20-21H,3-8,11H2,1-2H3
Definition date:	2013-08-21
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

21S

21S
Name:	N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:	C15 H19 Cl2 N5 O3 S2
SMILES:	O=S(=O)(NC3CCN(C(=O)CNc1c(Cl)cc(Cl)c2nsnc12)CC3)CC
InChi:	InChI=1S/C15H19Cl2N5O3S2/c1-2-27(24,25)21-9-3-5-22(6-4-9)12(23)8-18-13-10(16)7-11(17)14-15(13)20-26-19-14/h7,9,18,21H,2-6,8H2,1H3
Definition date:	2013-08-21
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide

OLD

OLD
Name:	3-[2-(4-bromophenyl)-2-oxoethyl]-L-histidine
Formula:	C14 H14 Br N3 O3
SMILES:	O=C(c1ccc(Br)cc1)Cn2c(cnc2)CC(C(=O)O)N
InChi:	InChI=1S/C14H14BrN3O3/c15-10-3-1-9(2-4-10)13(19)7-18-8-17-6-11(18)5-12(16)14(20)21/h1-4,6,8,12H,5,7,16H2,(H,20,21)/t12-/m0/s1
Definition date:	2009-06-26
Last modified:	2024-09-27
Release date:	2012-10-12
Identifier:	3-[2-(4-bromophenyl)-2-oxoethyl]-L-histidine

21Y

21Y
Name:	1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one
Formula:	C16 H21 Cl2 N3 O3
SMILES:	O=C(N1CCN(C(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2OC
InChi:	InChI=1S/C16H21Cl2N3O3/c1-3-15(22)20-4-6-21(7-5-20)16(23)10-19-13-8-11(17)12(18)9-14(13)24-2/h8-9,19H,3-7,10H2,1-2H3
Definition date:	2013-08-22
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one

220

220
Name:	UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE
Formula:	C15 H20 O4
SMILES:	O=CC(=C/CCCC=O)CCC=C(C=O)CCC=O
InChi:	InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2
Definition date:	2006-09-28
Last modified:	2024-09-27
Identifier:	(3E)-undeca-3,7-diene-1,3,7,11-tetracarbaldehyde

221

221
Name:	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE
Formula:	C12 H9 F6 N3 O S
SMILES:	N#CC(C(=O)N)C(S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C12H9F6N3OS/c13-11(14,15)5-1-6(12(16,17)18)3-7(2-5)21-10(23)8(4-19)9(20)22/h1-3,8,10,21,23H,(H2,20,22)/t8?,10-/m1/s1
Definition date:	2006-10-16
Last modified:	2024-09-27
Identifier:	(2R,3R)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-sulfanylpropanamide

OLT

OLT
Name:	O-METHYL-L-THREONINE
Formula:	C5 H11 N O3
SMILES:	O=C(O)C(N)C(OC)C
InChi:	InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1
Definition date:	2005-09-02
Last modified:	2024-09-27
Identifier:	O-methyl-L-threonine

OLX

OLX
Name:	[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
Formula:	C12 H13 N O4
SMILES:	O=C(O)CN1c2ccc(cc2C(O)C1=O)CC
InChi:	InChI=1S/C12H13NO4/c1-2-7-3-4-9-8(5-7)11(16)12(17)13(9)6-10(14)15/h3-5,11,16H,2,6H2,1H3,(H,14,15)/t11-/m1/s1
Definition date:	2023-08-17
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid

OM0

OM0
Name:	(1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
Formula:	C7 H11 Br O5
SMILES:	OC1C(CO)=C(Br)C(O)C(O)C1O
InChi:	InChI=1S/C7H11BrO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h4-7,9-13H,1H2/t4-,5+,6+,7+/m1/s1
Synonyms:	C5a-bromo-valienide
Definition date:	2022-05-12
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	(1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol

22C

22C
Name:	1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one
Formula:	C15 H18 Cl2 N2 O3
SMILES:	O=C(N1CCN(C(=O)CC)CC1)COc2ccc(Cl)cc2Cl
InChi:	InChI=1S/C15H18Cl2N2O3/c1-2-14(20)18-5-7-19(8-6-18)15(21)10-22-13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3
Definition date:	2013-08-22
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one

22G

22G
Name:	N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
Formula:	C18 H22 N2 O3
SMILES:	O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2
InChi:	InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1
Definition date:	2013-08-23
Last modified:	2024-09-27
Release date:	2014-01-15
Identifier:	N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine

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