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K9U

K9U
Name:	(2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide
Formula:	C24 H21 Cl2 F3 N4 O3
SMILES:	FC(F)(F)CCNC(=O)[CH]1CN(CCN1C(=O)C2=CC(=O)Nc3ccccc23)c4ccc(Cl)c(Cl)c4
InChi:	InChI=1S/C24H21Cl2F3N4O3/c25-17-6-5-14(11-18(17)26)32-9-10-33(20(13-32)22(35)30-8-7-24(27,28)29)23(36)16-12-21(34)31-19-4-2-1-3-15(16)19/h1-6,11-12,20H,7-10,13H2,(H,30,35)(H,31,34)/t20-/m0/s1
Definition date:	2022-09-14
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{S})-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1~{H}-quinolin-4-yl)carbonyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide

KAE

KAE
Name:	4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one
Formula:	C25 H26 Cl2 N4 O3
SMILES:	Clc1ccc(cc1Cl)N2CCN([CH](CN3CCOCC3)C2)C(=O)C4=CC(=O)Nc5ccccc45
InChi:	InChI=1S/C25H26Cl2N4O3/c26-21-6-5-17(13-22(21)27)30-7-8-31(18(16-30)15-29-9-11-34-12-10-29)25(33)20-14-24(32)28-23-4-2-1-3-19(20)23/h1-6,13-14,18H,7-12,15-16H2,(H,28,32)/t18-/m0/s1
Definition date:	2022-09-14
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one

XNO

XNO
Name:	xanomeline
Formula:	C14 H23 N3 O S
SMILES:	CN1CCC=C(C1)c1nsnc1OCCCCCC
InChi:	InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
Synonyms:	(5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine
Definition date:	2023-02-03
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(5M)-5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine

U4X

U4X
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol
Formula:	C26 H33 N O5
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCOCc2cc3ccccc3c4ccccc24
InChi:	InChI=1S/C26H33NO5/c28-16-23-25(30)26(31)24(29)15-27(23)12-6-1-7-13-32-17-19-14-18-8-2-3-9-20(18)22-11-5-4-10-21(19)22/h2-5,8-11,14,23-26,28-31H,1,6-7,12-13,15-17H2/t23-,24+,25-,26-/m1/s1
Definition date:	2023-01-25
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol

U54

U54
Name:	(1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol
Formula:	C21 H41 N5 O4
SMILES:	NCCCCc1cn(CCCCCCCCN[CH]2C[CH](O)[CH](O)[CH](O)[CH]2CO)nn1
InChi:	InChI=1S/C21H41N5O4/c22-10-6-5-9-16-14-26(25-24-16)12-8-4-2-1-3-7-11-23-18-13-19(28)21(30)20(29)17(18)15-27/h14,17-21,23,27-30H,1-13,15,22H2/t17-,18+,19-,20+,21+/m0/s1
Definition date:	2023-01-25
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(1~{S},2~{R},3~{R},4~{R},5~{R})-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol

ULL

ULL
Name:	propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
Formula:	C26 H24 Br N3 O3
SMILES:	O=C(c1ccc(Br)cc1)N1N=C(CC1c1ccccc1)c1ccc(NC(=O)OC(C)C)cc1
InChi:	InChI=1S/C26H24BrN3O3/c1-17(2)33-26(32)28-22-14-10-18(11-15-22)23-16-24(19-6-4-3-5-7-19)30(29-23)25(31)20-8-12-21(27)13-9-20/h3-15,17,24H,16H2,1-2H3,(H,28,32)/t24-/m0/s1
Definition date:	2023-09-06
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate

WCJ

WCJ
Name:	N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
Formula:	C28 H26 F N7 O2
SMILES:	CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)c(F)c1
InChi:	InChI=1S/C28H26FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-15H,1-4H3,(H,35,37)(H2,30,32,33)
Definition date:	2023-05-11
Last modified:	2023-09-08
Release date:	2023-06-07
Identifier:	N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide

XBQ

XBQ
Name:	Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
Formula:	C29 H33 N5 O6 S
SMILES:	O=S(=O)(c1ccc(N)cc1)N1CC(=O)N(CC(=O)NC(Cc2ccccc2)C(=O)N(C)c2ccc(OC)cc2)CC1
InChi:	InChI=1S/C29H33N5O6S/c1-32(23-10-12-24(40-2)13-11-23)29(37)26(18-21-6-4-3-5-7-21)31-27(35)19-33-16-17-34(20-28(33)36)41(38,39)25-14-8-22(30)9-15-25/h3-15,26H,16-20,30H2,1-2H3,(H,31,35)/t26-/m0/s1
Definition date:	2022-11-10
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide

ZWH

ZWH
Name:	[Ru2Cl(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)(succinic acid)2]
Formula:	C23 H28 N2 O10 Ru2
SMILES:	C[CH]1O[Ru]23O[CH](CCC(O)=O)O[Ru](O1)(O[CH](CCC(O)=O)O2)N(CN3c4ccccc4)c5ccccc5
InChi:	InChI=1S/C13H12N2.2C4H6O4.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-07-06
Last modified:	2023-09-08
Release date:	2023-09-13

ZWN

ZWN
Name:	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Formula:	C27 H32 O14
SMILES:	Oc1ccc(cc1)C1CC(=O)c2c(O)cc(cc2O1)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O
InChi:	InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
Synonyms:	Naringin
Definition date:	2023-04-13
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

OKL

OKL
Name:	8-chloranyl-3-pentyl-7H-purine-2,6-dione
Formula:	C10 H13 Cl N4 O2
SMILES:	CCCCCN1C(=O)NC(=O)c2[nH]c(Cl)nc12
InChi:	InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)
Definition date:	2023-02-07
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	8-chloranyl-3-pentyl-7~{H}-purine-2,6-dione

S9R

S9R
Name:	[(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate
Formula:	C6 H14 O8 P2
SMILES:	CCC(CO)=CCO[P](O)(=O)O[P](O)(O)=O
InChi:	InChI=1S/C6H14O8P2/c1-2-6(5-7)3-4-13-16(11,12)14-15(8,9)10/h3,7H,2,4-5H2,1H3,(H,11,12)(H2,8,9,10)/b6-3+
Definition date:	2023-04-11
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	[(~{E})-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate

KLO

KLO
Name:	5-(phenylmethyl)pyrimidine-2,4-diol
Formula:	C11 H10 N2 O2
SMILES:	Oc1ncc(Cc2ccccc2)c(O)n1
InChi:	InChI=1S/C11H10N2O2/c14-10-9(7-12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)
Definition date:	2022-05-30
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	5-(phenylmethyl)pyrimidine-2,4-diol

RKO

RKO
Name:	2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide
Formula:	C14 H11 Cl N4 O S
SMILES:	Clc1ccc(NC(=O)CSc2[nH]c3ccccc3n2)nc1
InChi:	InChI=1S/C14H11ClN4OS/c15-9-5-6-12(16-7-9)19-13(20)8-21-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,17,18)(H,16,19,20)
Definition date:	2022-11-30
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide

SE6

SE6
Name:	[(2E)-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate
Formula:	C7 H14 O8 P2
SMILES:	OCC(CC=C)=CCO[P](O)(=O)O[P](O)(O)=O
InChi:	InChI=1S/C7H14O8P2/c1-2-3-7(6-8)4-5-14-17(12,13)15-16(9,10)11/h2,4,8H,1,3,5-6H2,(H,12,13)(H2,9,10,11)/b7-4+
Definition date:	2023-04-11
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	[(2~{E})-3-(hydroxymethyl)hexa-2,5-dienyl] phosphono hydrogen phosphate

RLC

RLC
Name:	(2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
Formula:	C24 H28 F N7 O
SMILES:	CC[CH](CO)Nc1nc(NCc2ccc(c(F)c2)c3ccccn3)c4ncn(C(C)C)c4n1
InChi:	InChI=1S/C24H28FN7O/c1-4-17(13-33)29-24-30-22(21-23(31-24)32(14-28-21)15(2)3)27-12-16-8-9-18(19(25)11-16)20-7-5-6-10-26-20/h5-11,14-15,17,33H,4,12-13H2,1-3H3,(H2,27,29,30,31)/t17-/m1/s1
Definition date:	2022-12-01
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

0JS

0JS
Name:	8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine
Formula:	C23 H30 Br N5 O2
SMILES:	CCCCN(CC1CC1)c2nc(C)nc3n2nc(C)c3c4c(OC)cc(Br)cc4OC
InChi:	InChI=1S/C23H30BrN5O2/c1-6-7-10-28(13-16-8-9-16)23-26-15(3)25-22-20(14(2)27-29(22)23)21-18(30-4)11-17(24)12-19(21)31-5/h11-12,16H,6-10,13H2,1-5H3
Definition date:	2021-06-10
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine

RMF

RMF
Name:	~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine
Formula:	C21 H20 Cl2 N10 O
SMILES:	Cn1cc(cn1)n2cnc3c(NCc4[nH]c5cc(Cl)c(Cl)cc5n4)nc(nc23)N6CCOCC6
InChi:	InChI=1S/C21H20Cl2N10O/c1-31-10-12(8-26-31)33-11-25-18-19(29-21(30-20(18)33)32-2-4-34-5-3-32)24-9-17-27-15-6-13(22)14(23)7-16(15)28-17/h6-8,10-11H,2-5,9H2,1H3,(H,27,28)(H,24,29,30)
Definition date:	2022-12-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine

RMX

RMX
Name:	1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide
Formula:	C26 H30 N10 O2 S
SMILES:	CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(NCc5n(C)nc(C)c5[S](N)(=O)=O)nc12
InChi:	InChI=1S/C26H30N10O2S/c1-16(2)36-15-31-22-24(29-13-18-8-10-19(11-9-18)20-7-5-6-12-28-20)32-26(33-25(22)36)30-14-21-23(39(27,37)38)17(3)34-35(21)4/h5-12,15-16H,13-14H2,1-4H3,(H2,27,37,38)(H2,29,30,32,33)
Definition date:	2022-12-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide

RNF

RNF
Name:	(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
Formula:	C25 H30 N6 O
SMILES:	CC[CH](CO)Nc1nc(NCc2ccc(cc2)c3ccccc3)c4ncn(C(C)C)c4n1
InChi:	InChI=1S/C25H30N6O/c1-4-21(15-32)28-25-29-23(22-24(30-25)31(16-27-22)17(2)3)26-14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21,32H,4,14-15H2,1-3H3,(H2,26,28,29,30)/t21-/m1/s1
Definition date:	2022-12-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

RNU

RNU
Name:	~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide
Formula:	C14 H17 N3 O3 S2
SMILES:	Cc1oc(cc1)C(=O)N2CSC[CH]2C(=O)N[CH]3NC=C(C)S3
InChi:	InChI=1S/C14H17N3O3S2/c1-8-3-4-11(20-8)13(19)17-7-21-6-10(17)12(18)16-14-15-5-9(2)22-14/h3-5,10,14-15H,6-7H2,1-2H3,(H,16,18)/t10-,14+/m1/s1
Definition date:	2022-12-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide

QV3

QV3
Name:	4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide
Formula:	C26 H21 Cl F4 N6 O4
SMILES:	CC[CH](N1C=C(OC)C(=CC1=O)c2cc(Cl)ccc2n3cc(nn3)C(F)(F)F)C(=O)Nc4ccc(C(N)=O)c(F)c4
InChi:	InChI=1S/C26H21ClF4N6O4/c1-3-19(25(40)33-14-5-6-15(24(32)39)18(28)9-14)36-11-21(41-2)17(10-23(36)38)16-8-13(27)4-7-20(16)37-12-22(34-35-37)26(29,30)31/h4-12,19H,3H2,1-2H3,(H2,32,39)(H,33,40)/t19-/m0/s1
Synonyms:	Asundexian
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide

QVI

QVI
Name:	4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide
Formula:	C24 H29 N7 O2
SMILES:	NC[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)C(=O)Nc3ccc(cc3)c4[nH]nnn4
InChi:	InChI=1S/C24H29N7O2/c25-15-17-6-8-19(9-7-17)23(32)27-21(14-16-4-2-1-3-5-16)24(33)26-20-12-10-18(11-13-20)22-28-30-31-29-22/h1-5,10-13,17,19,21H,6-9,14-15,25H2,(H,26,33)(H,27,32)(H,28,29,30,31)/t17-,19-,21-/m0/s1
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide

QW0

QW0
Name:	(~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide
Formula:	C21 H16 Cl2 N10 O
SMILES:	Nc1n[nH]c2cc(ccc12)c3[nH]c(CNC(=O)C=Cc4cc(Cl)ccc4n5cnnn5)nc3Cl
InChi:	InChI=1S/C21H16Cl2N10O/c22-13-3-5-16(33-10-26-31-32-33)11(7-13)2-6-18(34)25-9-17-27-19(20(23)28-17)12-1-4-14-15(8-12)29-30-21(14)24/h1-8,10H,9H2,(H,25,34)(H,27,28)(H3,24,29,30)/b6-2+
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide

QW6

QW6
Name:	4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid
Formula:	C28 H28 Cl N3 O6
SMILES:	COC1=C(CC(=O)N(C1)[CH](C[CH]2CCCCO2)C(=O)Nc3ccc(cc3)C(O)=O)c4cc(Cl)ccc4C#N
InChi:	InChI=1S/C28H28ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,21,24H,2-4,11,13-14,16H2,1H3,(H,31,34)(H,35,36)/t21-,24-/m0/s1
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid

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