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OKV

OKV
Name:	1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one
Formula:	C21 H22 F3 N3 O3 S
SMILES:	c2cc1N(C(=O)C)CCc1cc2S(N4CCN(c3cc(ccc3)C(F)(F)F)CC4)(=O)=O
InChi:	InChI=1S/C21H22F3N3O3S/c1-15(28)27-8-7-16-13-19(5-6-20(16)27)31(29,30)26-11-9-25(10-12-26)18-4-2-3-17(14-18)21(22,23)24/h2-6,13-14H,7-12H2,1H3
Definition date:	2019-06-27
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one

OKY

OKY
Name:	1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one
Formula:	C21 H21 Cl F3 N3 O3 S
SMILES:	c2cc1N(C(C)=O)CCc1cc2S(N4CCN(c3cc(cc(c3)Cl)C(F)(F)F)CC4)(=O)=O
InChi:	InChI=1S/C21H21ClF3N3O3S/c1-14(29)28-5-4-15-10-19(2-3-20(15)28)32(30,31)27-8-6-26(7-9-27)18-12-16(21(23,24)25)11-17(22)13-18/h2-3,10-13H,4-9H2,1H3
Definition date:	2019-06-28
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one

OZ1

OZ1
Name:	4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
Formula:	C22 H24 F2 N4 O4
SMILES:	c3cc(CNC(=O)C2=C(N)c1cc(CCCCCCO)cnc1N(C2=O)O)c(F)cc3F
InChi:	InChI=1S/C22H24F2N4O4/c23-15-7-6-14(17(24)10-15)12-27-21(30)18-19(25)16-9-13(5-3-1-2-4-8-29)11-26-20(16)28(32)22(18)31/h6-7,9-11,29,32H,1-5,8,12,25H2,(H,27,30)
Definition date:	2019-07-19
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide

A0O

A0O
Name:	7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
Formula:	C15 H16 O3
SMILES:	COc1ccc2C=CC(=O)Oc2c1CC=C(C)C
InChi:	InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
Definition date:	2018-09-12
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one

PQV

PQV
Name:	(2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide
Formula:	C10 H19 N3 O2
SMILES:	C1N(CCCCC1)CCNC(C=NO)=O
InChi:	InChI=1S/C10H19N3O2/c14-10(9-12-15)11-5-8-13-6-3-1-2-4-7-13/h9,15H,1-8H2,(H,11,14)/b12-9+
Definition date:	2019-08-23
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	(2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide

QKG

QKG
Name:	4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide
Formula:	C17 H19 N3 O2
SMILES:	C(Cn3c1c(ccc(c1)OC)c2ccnc(C)c23)CC(=O)N
InChi:	InChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21)
Definition date:	2019-11-06
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide

QXY

QXY
Name:	{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
Formula:	C19 H26 N4 O
SMILES:	C1CN(CCN1C(c2ccc(cc2)Cn3c(cc(n3)C)C)=O)CC
InChi:	InChI=1S/C19H26N4O/c1-4-21-9-11-22(12-10-21)19(24)18-7-5-17(6-8-18)14-23-16(3)13-15(2)20-23/h5-8,13H,4,9-12,14H2,1-3H3
Definition date:	2020-01-14
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone

R54

R54
Name:	(5R,6S)-5-(4-{2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
Formula:	C29 H33 N O2
SMILES:	CC1CCCN1CCOc2ccc(cc2)C4c3ccc(O)cc3CCC4c5ccccc5
InChi:	InChI=1S/C29H33NO2/c1-21-6-5-17-30(21)18-19-32-26-13-9-23(10-14-26)29-27(22-7-3-2-4-8-22)15-11-24-20-25(31)12-16-28(24)29/h2-4,7-10,12-14,16,20-21,27,29,31H,5-6,11,15,17-19H2,1H3/t21-,27+,29-/m0/s1
Definition date:	2020-01-30
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	(5R,6S)-5-(4-{2-[(2S)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

CKL

CKL
Name:	4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
Formula:	C19 H21 N9 O5 S
SMILES:	COc1ncnc(N[S](=O)(=O)c2ccc(NCC3=NC4=C(NC3)N=C(N)NC4=O)cc2)c1OC
InChi:	InChI=1S/C19H21N9O5S/c1-32-14-16(23-9-24-18(14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-7-11-8-22-15-13(25-11)17(29)27-19(20)26-15/h3-6,9,21H,7-8H2,1-2H3,(H,23,24,28)(H4,20,22,26,27,29)
Definition date:	2019-04-25
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

BV9

BV9
Name:	4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide
Formula:	C16 H14 N4 O
SMILES:	Cn1cc(cn1)c2cncc(c2)c3ccc(cc3)C(N)=O
InChi:	InChI=1S/C16H14N4O/c1-20-10-15(9-19-20)14-6-13(7-18-8-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)
Definition date:	2019-03-13
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide

EB6

EB6
Name:	methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate
Formula:	C33 H27 N O7
SMILES:	COC(=O)[CH](Cc1ccc(OC(=O)C#Cc2ccc(OC)cc2O)cc1)Nc3ccccc3C(=O)c4ccccc4
InChi:	InChI=1S/C33H27NO7/c1-39-26-18-14-23(30(35)21-26)15-19-31(36)41-25-16-12-22(13-17-25)20-29(33(38)40-2)34-28-11-7-6-10-27(28)32(37)24-8-4-3-5-9-24/h3-14,16-18,21,29,34-35H,20H2,1-2H3/t29-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate

EBF

EBF
Name:	7-methoxychromen-2-one
Formula:	C10 H8 O3
SMILES:	COc1ccc2C=CC(=O)Oc2c1
InChi:	InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
Definition date:	2019-12-06
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	7-methoxychromen-2-one

EJL

EJL
Name:	(9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid
Formula:	C24 H32 O3
SMILES:	CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(O)=O
InChi:	InChI=1S/C24H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24(26)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17,19,21-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,16-15-
Definition date:	2020-01-08
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	(9~{Z},12~{Z},15~{Z},18~{Z},21~{Z})-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid

EJO

EJO
Name:	7-(diethylamino)chromen-2-one
Formula:	C13 H15 N O2
SMILES:	CCN(CC)c1ccc2C=CC(=O)Oc2c1
InChi:	InChI=1S/C13H15NO2/c1-3-14(4-2)11-7-5-10-6-8-13(15)16-12(10)9-11/h5-9H,3-4H2,1-2H3
Definition date:	2020-01-08
Last modified:	2020-02-07
Release date:	2020-02-12
Identifier:	7-(diethylamino)chromen-2-one

J1W

J1W
Name:	2-Bromopalmitic acid
Formula:	C16 H31 Br O2
SMILES:	CCCCCCCCCCCCCC[CH](Br)C(O)=O
InChi:	InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)/t15-/m1/s1
Definition date:	2019-01-12
Last modified:	2020-01-31
Release date:	2020-02-05
Identifier:	(2~{R})-2-bromanylhexadecanoic acid

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

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

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

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

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