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WVZ

WVZ
Name:	(1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one
Formula:	C15 H13 N O
SMILES:	O=C1Cc2ccccc2[CH](N1)c3ccccc3
InChi:	InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)/t15-/m0/s1
Definition date:	2023-10-16
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one

VHU

VHU
Name:	(4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one
Formula:	C29 H28 N4 O5
SMILES:	CC(=O)N1CCCC(C1)C(=O)N1CCN(CC1)C(=O)c1cc2cccc(c2o1)c1cccc2C(=O)N=Cc21
InChi:	InChI=1S/C29H28N4O5/c1-18(34)33-10-4-6-20(17-33)28(36)31-11-13-32(14-12-31)29(37)25-15-19-5-2-8-22(26(19)38-25)21-7-3-9-23-24(21)16-30-27(23)35/h2-3,5,7-9,15-16,20H,4,6,10-14,17H2,1H3/t20-/m0/s1
Definition date:	2023-09-12
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one

Q73

Q73
Name:	(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid
Formula:	C28 H46 N2 O5
SMILES:	CC=C[CH]1O[CH](C[CH](O)[CH]1C)[CH](N)C=CC=C(C)C[CH](C)C=C(C)C=C[CH](O)C[CH](N)CC(O)=O
InChi:	InChI=1S/C28H46N2O5/c1-6-8-26-21(5)25(32)17-27(35-26)24(30)10-7-9-18(2)13-20(4)14-19(3)11-12-23(31)15-22(29)16-28(33)34/h6-12,14,20-27,31-32H,13,15-17,29-30H2,1-5H3,(H,33,34)/b8-6+,10-7+,12-11+,18-9+,19-14-/t20-,21+,22+,23+,24+,25-,26+,27+/m1/s1
Definition date:	2023-03-24
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid

WWR

WWR
Name:	3-(phenylmethyl)-1~{H}-imidazol-2-one
Formula:	C10 H10 N2 O
SMILES:	O=C1NC=CN1Cc2ccccc2
InChi:	InChI=1S/C10H10N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13)
Definition date:	2023-10-16
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	3-(phenylmethyl)-1~{H}-imidazol-2-one

WEH

WEH
Name:	L-Homoglutamine
Formula:	C6 H12 N2 O3
SMILES:	N[CH](CCCC(N)=O)C(O)=O
InChi:	InChI=1S/C6H12N2O3/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m1/s1
Synonyms:	(2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid
Definition date:	2023-10-03
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid

WXH

WXH
Name:	(4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
Formula:	C19 H17 F3 N4 O S
SMILES:	FC(F)(F)CNC(=O)c1cc(cs1)c1cnc2[NH]c(cc2c1)C1=CCCNC1
InChi:	InChI=1S/C19H17F3N4OS/c20-19(21,22)10-25-18(27)16-6-14(9-28-16)13-4-12-5-15(26-17(12)24-8-13)11-2-1-3-23-7-11/h2,4-6,8-9,23H,1,3,7,10H2,(H,24,26)(H,25,27)
Definition date:	2023-05-22
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

WET

WET
Name:	L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Formula:	C10 H11 N O3
SMILES:	OC(=O)[CH]1Cc2ccc(O)cc2CN1
InChi:	InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1
Synonyms:	(3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Definition date:	2023-10-03
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Q90

Q90
Name:	4-[4-chloranyl-2-(2-hydroxy-2-oxoethyloxy)phenyl]-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:
SMILES:	OC(=O)COc1cc(Cl)ccc1c2ccc(C(O)=O)c(N[S](=O)(=O)c3ccc(cc3)c4ccccc4)c2
InChi:	InChI=1S/C27H20ClNO7S/c28-20-9-13-22(25(15-20)36-16-26(30)31)19-8-12-23(27(32)33)24(14-19)29-37(34,35)21-10-6-18(7-11-21)17-4-2-1-3-5-17/h1-15,29H,16H2,(H,30,31)(H,32,33)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-[4-chloranyl-2-(2-hydroxy-2-oxoethyloxy)phenyl]-2-[(4-phenylphenyl)sulfonylamino]benzoic acid

Q9F

Q9F
Name:	4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:	C25 H18 Cl N O5 S
SMILES:	OC(=O)c1c(O)cc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:	InChI=1S/C25H18ClNO5S/c26-20-10-6-18(7-11-20)19-14-22(24(25(29)30)23(28)15-19)27-33(31,32)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid

Q9L

Q9L
Name:	4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:	C25 H18 Cl N O4 S
SMILES:	OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:	InChI=1S/C25H18ClNO4S/c26-21-11-6-19(7-12-21)20-10-15-23(25(28)29)24(16-20)27-32(30,31)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,27H,(H,28,29)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid

Q9R

Q9R
Name:	5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:	C25 H17 Cl F N O5 S
SMILES:	OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1O)c4ccc(F)c(Cl)c4
InChi:	InChI=1S/C25H17ClFNO5S/c26-21-13-17(8-11-22(21)27)18-12-20(25(30)31)24(29)23(14-18)28-34(32,33)19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-14,28-29H,(H,30,31)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid

WFZ

WFZ
Name:	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid
Formula:	C16 H12 N4 O4 S2
SMILES:	COC(=O)c1csc(n1)c2ccc(C(O)=O)c(n2)c3csc(n3)C(N)=C
InChi:	InChI=1S/C16H12N4O4S2/c1-7(17)13-19-10(5-25-13)12-8(15(21)22)3-4-9(18-12)14-20-11(6-26-14)16(23)24-2/h3-6H,1,17H2,2H3,(H,21,22)
Definition date:	2023-10-03
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid

QA0

QA0
Name:	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid
Formula:	C26 H18 Cl N O6 S
SMILES:	OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C26H18ClNO6S/c27-20-10-6-18(7-11-20)19-14-22(25(29)30)24(26(31)32)23(15-19)28-35(33,34)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,28H,(H,29,30)(H,31,32)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid

QA3

QA3
Name:	4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:	C25 H18 Cl N O5 S
SMILES:	OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4O
InChi:	InChI=1S/C25H18ClNO5S/c26-19-9-13-21(24(28)15-19)18-8-12-22(25(29)30)23(14-18)27-33(31,32)20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid

WGB

WGB
Name:	(2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propanoic acid
Formula:	C10 H13 N2 O4
SMILES:	CN[CH](Cc1ccc(cc1)[N-](O)=O)C(O)=O
InChi:	InChI=1S/C10H13N2O4/c1-11-9(10(13)14)6-7-2-4-8(5-3-7)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)(H,15,16)/q-1/t9-/m0/s1
Definition date:	2023-10-03
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)azanuidyl]phenyl]propanoic acid

QAI

QAI
Name:	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid
Formula:	C23 H16 Cl N O4 S2
SMILES:	OC(=O)c1sc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:	InChI=1S/C23H16ClNO4S2/c24-18-10-6-17(7-11-18)21-14-20(22(30-21)23(26)27)25-31(28,29)19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-14,25H,(H,26,27)
Definition date:	2023-03-29
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid

QB2

QB2
Name:	2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid
Formula:	C22 H18 Cl2 F3 N3 O6 S
SMILES:	OC[CH]1O[CH](Sc2ccc(Cl)c(Cl)c2)[CH](OCC(O)=O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:	InChI=1S/C22H18Cl2F3N3O6S/c23-11-2-1-10(5-12(11)24)37-22-21(35-8-17(32)33)19(20(34)16(7-31)36-22)30-6-15(28-29-30)9-3-13(25)18(27)14(26)4-9/h1-6,16,19-22,31,34H,7-8H2,(H,32,33)/t16-,19+,20+,21-,22-/m1/s1
Definition date:	2023-03-29
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid

87I

87I
Name:	(2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid
Formula:	C6 H11 N O3
SMILES:	CN1C[CH](O)C[CH]1C(O)=O
InChi:	InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m1/s1
Definition date:	2023-03-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(2~{R},4~{R})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

SKU

SKU
Name:	3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid
Formula:	C18 H14 Cl N O7 S3
SMILES:	COC(=O)c1sc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)c3ccc(Cl)cc3
InChi:	InChI=1S/C18H14ClNO7S3/c1-27-18(21)17-15(10-16(28-17)11-5-7-12(19)8-6-11)20-29(22,23)13-3-2-4-14(9-13)30(24,25)26/h2-10,20H,1H3,(H,24,25,26)
Definition date:	2023-04-13
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]sulfamoyl]benzenesulfonic acid

BJU

BJU
Name:	N-tetradecanoylglycine
Formula:	C16 H31 N O3
SMILES:	C(CCCC(=O)NCC(O)=O)CCCCCCCCC
InChi:	InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)
Definition date:	2019-02-07
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	N-tetradecanoylglycine

6IW

6IW
Name:	(2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid
Formula:	C6 H11 N O3
SMILES:	CN1C[CH](O)C[CH]1C(O)=O
InChi:	InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1
Definition date:	2023-02-16
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(2~{S},4~{S})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

A1LVQ

A1LVQ
Name:	CXF007
Formula:	C34 H33 N7 O5
SMILES:	COc1cc(OC)cc(c1)N2Cc3cnc(Nc4ccccc4NC(=O)C=C)nc3N(CCc5ccc(NC(=O)C=C)cc5)C2=O
InChi:	InChI=1S/C34H33N7O5/c1-5-30(42)36-24-13-11-22(12-14-24)15-16-40-32-23(21-41(34(40)44)25-17-26(45-3)19-27(18-25)46-4)20-35-33(39-32)38-29-10-8-7-9-28(29)37-31(43)6-2/h5-14,17-20H,1-2,15-16,21H2,3-4H3,(H,36,42)(H,37,43)(H,35,38,39)
Synonyms:	~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]propanamide
Definition date:	2024-01-04
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]prop-2-enamide

HTU

HTU
Name:	4-sulfanylphenol
Formula:	C6 H6 O S
SMILES:	Oc1ccc(S)cc1
InChi:	InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H
Definition date:	2012-02-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-sulfanylphenol

BGM

BGM
Name:	8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
Formula:	C10 H13 Br N5 O7 P
SMILES:	O=P(O)(O)OCC1OC(CC1O)n1c(Br)nc2c1N=C(N)NC2=O
InChi:	InChI=1S/C10H13BrN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1
Definition date:	2002-11-21
Last modified:	2024-03-21
Identifier:	8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate)

M9W

M9W
Name:	Enmetazobactam derived trans-enamine adduct
Formula:	C11 H17 N4 O6 S
SMILES:	C[n+]1ccn(C[C](C)([CH](NC=CC(O)=O)C(O)=O)[S](O)=O)n1
InChi:	InChI=1S/C11H16N4O6S/c1-11(22(20)21,7-15-6-5-14(2)13-15)9(10(18)19)12-4-3-8(16)17/h3-6,9,12H,7H2,1-2H3,(H2-,16,17,18,19,20,21)/p+1/b4-3+/t9-,11-/m0/s1
Synonyms:	(2S,3S)-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(E)-3-oxidanylideneprop-1-enyl]amino]-3-sulfino-butanoic acid
Definition date:	2019-10-10
Last modified:	2024-03-19
Release date:	2020-11-18
Identifier:	(2~{S},3~{S})-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(~{E})-3-oxidanyl-3-oxidanylidene-prop-1-enyl]amino]-3-sulfino-butanoic acid

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