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QDV

QDV
Name:	tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
Formula:	C32 H38 N4 O3 S
SMILES:	C(C(NC(OC(C)(C)C)=O)Cc1cnc2ccccc12)SC(C(=O)NCCc3cccnc3)Cc4ccccc4
InChi:	InChI=1S/C32H38N4O3S/c1-32(2,3)39-31(38)36-26(19-25-21-35-28-14-8-7-13-27(25)28)22-40-29(18-23-10-5-4-6-11-23)30(37)34-17-15-24-12-9-16-33-20-24/h4-14,16,20-21,26,29,35H,15,17-19,22H2,1-3H3,(H,34,37)(H,36,38)/t26-,29+/m0/s1
Definition date:	2019-10-17
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

QDY

QDY
Name:	tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
Formula:	C34 H39 N3 O3 S
SMILES:	C(C(NC(OC(C)(C)C)=O)Cc2c1ccccc1ccc2)SC(C(NCCc3cccnc3)=O)Cc4ccccc4
InChi:	InChI=1S/C34H39N3O3S/c1-34(2,3)40-33(39)37-29(22-28-16-9-15-27-14-7-8-17-30(27)28)24-41-31(21-25-11-5-4-6-12-25)32(38)36-20-18-26-13-10-19-35-23-26/h4-17,19,23,29,31H,18,20-22,24H2,1-3H3,(H,36,38)(H,37,39)/t29-,31+/m1/s1
Definition date:	2019-10-17
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

QE4

QE4
Name:	tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
Formula:	C34 H39 N3 O3 S
SMILES:	CC(OC(NC(CSC(Cc1ccccc1)C(=O)NCCc2cnccc2)Cc3cccc4c3cccc4)=O)(C)C
InChi:	InChI=1S/C34H39N3O3S/c1-34(2,3)40-33(39)37-29(22-28-16-9-15-27-14-7-8-17-30(27)28)24-41-31(21-25-11-5-4-6-12-25)32(38)36-20-18-26-13-10-19-35-23-26/h4-17,19,23,29,31H,18,20-22,24H2,1-3H3,(H,36,38)(H,37,39)/t29-,31+/m0/s1
Definition date:	2019-10-17
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

QEA

QEA
Name:	tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
Formula:	C32 H38 N4 O3 S
SMILES:	C(SC(C(=O)NCCc1cnccc1)Cc2ccccc2)C(Cc3cnc4c3cccc4)NC(=O)OC(C)(C)C
InChi:	InChI=1S/C32H38N4O3S/c1-32(2,3)39-31(38)36-26(19-25-21-35-28-14-8-7-13-27(25)28)22-40-29(18-23-10-5-4-6-11-23)30(37)34-17-15-24-12-9-16-33-20-24/h4-14,16,20-21,26,29,35H,15,17-19,22H2,1-3H3,(H,34,37)(H,36,38)/t26-,29+/m1/s1
Definition date:	2019-10-18
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

QEP

QEP
Name:	tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
Formula:	C33 H38 N4 O3 S
SMILES:	CC(OC(=O)NC(CSCC(Nc1ccccc1)C(=O)NCc2cnccc2)Cc3cccc4c3cccc4)(C)C
InChi:	InChI=1S/C33H38N4O3S/c1-33(2,3)40-32(39)37-28(19-26-14-9-13-25-12-7-8-17-29(25)26)22-41-23-30(36-27-15-5-4-6-16-27)31(38)35-21-24-11-10-18-34-20-24/h4-18,20,28,30,36H,19,21-23H2,1-3H3,(H,35,38)(H,37,39)/t28-,30-/m0/s1
Definition date:	2019-10-18
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate

QES

QES
Name:	tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
Formula:	C31 H37 N5 O3 S
SMILES:	CC(OC(NC(CSCC(C(NCc1cnccc1)=O)Nc2ccccc2)Cc4c3c(cccc3)nc4)=O)(C)C
InChi:	InChI=1S/C31H37N5O3S/c1-31(2,3)39-30(38)36-25(16-23-19-33-27-14-8-7-13-26(23)27)20-40-21-28(35-24-11-5-4-6-12-24)29(37)34-18-22-10-9-15-32-17-22/h4-15,17,19,25,28,33,35H,16,18,20-21H2,1-3H3,(H,34,37)(H,36,38)/t25-,28-/m1/s1
Definition date:	2019-10-18
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate

863

863
Name:	5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
Formula:	C20 H28 N2 O3
SMILES:	COc1ccc(cc1OC2CCCC2)C3=NN(C(C)C)C(=O)C3(C)C
InChi:	InChI=1S/C20H28N2O3/c1-13(2)22-19(23)20(3,4)18(21-22)14-10-11-16(24-5)17(12-14)25-15-8-6-7-9-15/h10-13,15H,6-9H2,1-5H3
Definition date:	2019-01-13
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	5-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one

J2E

J2E
Name:	1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one
Formula:	C24 H34 N2 O3
SMILES:	COc1ccc(cc1OC2CCCC2)C3=NN(C4CCCCCC4)C(=O)C3(C)C
InChi:	InChI=1S/C24H34N2O3/c1-24(2)22(25-26(23(24)27)18-10-6-4-5-7-11-18)17-14-15-20(28-3)21(16-17)29-19-12-8-9-13-19/h14-16,18-19H,4-13H2,1-3H3
Definition date:	2019-01-13
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	2-cycloheptyl-5-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-pyrazol-3-one

J2H

J2H
Name:	8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Formula:	C30 H28 N6 O2
SMILES:	Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(c4ccc(cc4)c5ccccc5)C3=O)c6ncccn6
InChi:	InChI=1S/C30H28N6O2/c1-22-7-5-16-31-26(22)21-34-19-14-30(15-20-34)27(37)35(29(38)36(30)28-32-17-6-18-33-28)25-12-10-24(11-13-25)23-8-3-2-4-9-23/h2-13,16-18H,14-15,19-21H2,1H3
Definition date:	2019-01-14
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

J32

J32
Name:	[(2~{S})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate
Formula:	C28 H23 O6 P
SMILES:	OC[CH](COCc1ccc(cc1)C#Cc2ccc3ccc4cccc5ccc2c3c45)O[P](O)(O)=O
InChi:	InChI=1S/C28H23O6P/c29-16-25(34-35(30,31)32)18-33-17-20-6-4-19(5-7-20)8-9-21-10-11-24-13-12-22-2-1-3-23-14-15-26(21)28(24)27(22)23/h1-7,10-15,25,29H,16-18H2,(H2,30,31,32)/t25-/m0/s1
Definition date:	2019-01-16
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	[(2~{S})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate

J3S

J3S
Name:	(6S)-6,8-disulfanyloctanamide
Formula:	C8 H17 N O S2
SMILES:	C(CCCCC(CCS)S)(N)=O
InChi:	InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m0/s1
Definition date:	2018-08-07
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	(6S)-6,8-disulfanyloctanamide

BKO

BKO
Name:	1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{E})-2-phenylethenyl]phenoxy]butan-1-one
Formula:	C26 H30 N2 O4 S
SMILES:	O[CH]1C[CH](N(C1)C(=O)CCCOc2ccccc2C=Cc3ccccc3)C(=O)N4CCSC4
InChi:	InChI=1S/C26H30N2O4S/c29-22-17-23(26(31)27-14-16-33-19-27)28(18-22)25(30)11-6-15-32-24-10-5-4-9-21(24)13-12-20-7-2-1-3-8-20/h1-5,7-10,12-13,22-23,29H,6,11,14-19H2/b13-12+
Definition date:	2019-02-14
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{E})-2-phenylethenyl]phenoxy]butan-1-one

L1S

L1S
Name:	methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
Formula:	C25 H23 N7 O4
SMILES:	O=C(c5c4nc(c3ccc(C(N2CCN(c1ncc(cn1)C(OC)=O)CC2)=O)cc3)nc4ccc5)N
InChi:	InChI=1S/C25H23N7O4/c1-36-24(35)17-13-27-25(28-14-17)32-11-9-31(10-12-32)23(34)16-7-5-15(6-8-16)22-29-19-4-2-3-18(21(26)33)20(19)30-22/h2-8,13-14H,9-12H2,1H3,(H2,26,33)(H,29,30)
Definition date:	2019-01-31
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate

L1V

L1V
Name:	4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
Formula:	C15 H16 O5
SMILES:	C1CC(C(CC(=O)O)C1)C(c2ccc(cc2)C(O)=O)=O
InChi:	InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m0/s1
Definition date:	2019-01-31
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid

L1Y

L1Y
Name:	4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
Formula:	C15 H16 O5
SMILES:	C1(C(CCC1)CC(=O)O)C(c2ccc(cc2)C(O)=O)=O
InChi:	InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m1/s1
Definition date:	2019-01-31
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid

KLQ

KLQ
Name:	Bictegravir
Formula:	C21 H18 F3 N3 O5
SMILES:	OC1=C2N(C[CH]3O[CH]4CC[CH](C4)N3C2=O)C=C(C(=O)NCc5c(F)cc(F)cc5F)C1=O
InChi:	InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1
Definition date:	2019-06-06
Last modified:	2020-01-31
Release date:	2020-02-05

H8R

H8R
Name:	(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid
Formula:	C20 H31 N O4
SMILES:	CCCCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(O)=O
InChi:	InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-14-25-17-12-10-16(11-13-17)19(22)21-18(15(2)3)20(23)24/h10-13,15,18H,4-9,14H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1
Definition date:	2019-01-23
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	(2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid

LD8

LD8
Name:	2,4-dimethoxypyrimidine
Formula:	C6 H8 N2 O2
SMILES:	COc1ccnc(OC)n1
InChi:	InChI=1S/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3
Definition date:	2019-08-05
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	2,4-dimethoxypyrimidine

NMJ

NMJ
Name:	6-chloropyrazine-2-carboxylic acid
Formula:	C5 H3 Cl N2 O2
SMILES:	c1c(C(O)=O)nc(cn1)Cl
InChi:	InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10)
Definition date:	2019-05-20
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	6-chloropyrazine-2-carboxylic acid

P6V

P6V
Name:	4-(aminomethyl)-N-hydroxybenzamide
Formula:	C8 H10 N2 O2
SMILES:	C(NO)(c1ccc(CN)cc1)=O
InChi:	InChI=1S/C8H10N2O2/c9-5-6-1-3-7(4-2-6)8(11)10-12/h1-4,12H,5,9H2,(H,10,11)
Definition date:	2019-08-02
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	4-(aminomethyl)-N-hydroxybenzamide

P6Y

P6Y
Name:	N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
Formula:	C15 H12 F3 N3 O3
SMILES:	c2(C(NCc1ccc(cc1)C(NO)=O)=O)cccnc2C(F)(F)F
InChi:	InChI=1S/C15H12F3N3O3/c16-15(17,18)12-11(2-1-7-19-12)14(23)20-8-9-3-5-10(6-4-9)13(22)21-24/h1-7,24H,8H2,(H,20,23)(H,21,22)
Definition date:	2019-08-02
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide

P7J

P7J
Name:	4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide
Formula:	C18 H26 N2 O2
SMILES:	c3c(CNCC2CCC1CC2C1(C)C)ccc(C(NO)=O)c3
InChi:	InChI=1S/C18H26N2O2/c1-18(2)15-8-7-14(16(18)9-15)11-19-10-12-3-5-13(6-4-12)17(21)20-22/h3-6,14-16,19,22H,7-11H2,1-2H3,(H,20,21)/t14-,15+,16+/m0/s1
Definition date:	2019-08-02
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide

P7V

P7V
Name:	2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide
Formula:	C10 H7 Br N2 O3
SMILES:	C(c2coc(c1ccc(Br)cc1)n2)(NO)=O
InChi:	InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
Definition date:	2019-08-06
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide

AQH

AQH
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate
Formula:	C17 H27 N5 O16 P2
SMILES:	O=P(OP(=O)(OC1OC(C(O)C(O)C1O)C(O)CO)O)(OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)O
InChi:	InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9-,10-,11-,12-,13+,16-,17-/m1/s1
Definition date:	2014-09-30
Last modified:	2020-01-26
Release date:	2014-11-05
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

VIA

VIA
Name:	5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE
Formula:	C22 H30 N6 O4 S
SMILES:	O=S(=O)(N1CCN(C)CC1)c4cc(C2=Nc3c(C(=O)N2)n(nc3CCC)C)c(OCC)cc4
InChi:	InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
Synonyms:	SILDENAFIL
Definition date:	2003-05-07
Last modified:	2020-01-26
Identifier:	5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

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