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Q8M

Q8M
Name:	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Formula:	C14 H15 Br Cl N3 O3 S
SMILES:	C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3
InChi:	InChI=1S/C14H15BrClN3O3S/c15-9-5-11(16)14(20)12(6-9)23(21,22)18-13-7-19(8-17-13)10-3-1-2-4-10/h5-8,10,18,20H,1-4H2
Definition date:	2019-10-03
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide

QBM

QBM
Name:	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol
Formula:	C7 H11 N3 O S
SMILES:	CCCSc1nnc(c(O)n1)C
InChi:	InChI=1S/C7H11N3OS/c1-3-4-12-7-8-6(11)5(2)9-10-7/h3-4H2,1-2H3,(H,8,10,11)
Definition date:	2019-10-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol

QBP

QBP
Name:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole
Formula:	C8 H5 F3 N4
SMILES:	C(F)(F)(c2ccc(c1nnnn1)cc2)F
InChi:	InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
Definition date:	2019-10-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole

QBS

QBS
Name:	(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile
Formula:	C10 H8 Cl N O
SMILES:	CC(C(c1ccc(cc1)Cl)C#N)=O
InChi:	InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3/t10-/m1/s1
Definition date:	2019-10-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile

U0M

U0M
Name:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
Formula:	C9 H12 F N3 S
SMILES:	C=1CCN(CC=1F)Cc2nnc(C)s2
InChi:	InChI=1S/C9H12FN3S/c1-7-11-12-9(14-7)6-13-4-2-3-8(10)5-13/h3H,2,4-6H2,1H3
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine

U0P

U0P
Name:	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
Formula:	C10 H15 N3 O2
SMILES:	C(N(C)Cc1noc(c1)C)(NC2CC2)=O
InChi:	InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

U0S

U0S
Name:	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
Formula:	C11 H15 N3 O
SMILES:	C3CC2(CN(c1nccnc1)CC2)CO3
InChi:	InChI=1S/C11H15N3O/c1-5-14(10-7-12-3-4-13-10)8-11(1)2-6-15-9-11/h3-4,7H,1-2,5-6,8-9H2/t11-/m0/s1
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane

U0V

U0V
Name:	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
Formula:	C14 H13 F N2 O
SMILES:	c2(CCNC(c1c(F)cccc1)=O)ccncc2
InChi:	InChI=1S/C14H13FN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide

U1V

U1V
Name:	1-(4-fluoro-2-methylphenyl)methanesulfonamide
Formula:	C8 H10 F N O2 S
SMILES:	c1cc(CS(N)(=O)=O)c(C)cc1F
InChi:	InChI=1S/C8H10FNO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-(4-fluoro-2-methylphenyl)methanesulfonamide

C6O

C6O
Name:	6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
Formula:	C34 H39 Cl F N7 O2
SMILES:	CCC(=O)N1CCC[CH](C1)N2C(=O)C(=C(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc23)c6cccc(F)c6Cl
InChi:	InChI=1S/C34H39ClFN7O2/c1-5-29(44)42-13-7-8-24(20-42)43-32-26(22(3)30(33(43)45)25-9-6-10-27(36)31(25)35)19-37-34(39-32)38-23-11-12-28(21(2)18-23)41-16-14-40(4)15-17-41/h6,9-12,18-19,24H,5,7-8,13-17,20H2,1-4H3,(H,37,38,39)/t24-/m0/s1
Definition date:	2019-04-11
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3~{S})-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one

C9U

C9U
Name:	4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
Formula:	C24 H26 N8
SMILES:	CCn1cc(c2ccnc(Nc3ccc(cc3)N4CCNCC4)n2)c(n1)c5cccnc5
InChi:	InChI=1S/C24H26N8/c1-2-32-17-21(23(30-32)18-4-3-10-26-16-18)22-9-11-27-24(29-22)28-19-5-7-20(8-6-19)31-14-12-25-13-15-31/h3-11,16-17,25H,2,12-15H2,1H3,(H,27,28,29)
Definition date:	2019-04-23
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine

AYR

AYR
Name:	(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
Formula:	C17 H19 N O3
SMILES:	C(c2ccc1OCOc1c2)=[C@H]C=[C@H]C(N3CCCCC3)=O
InChi:	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
Definition date:	2018-12-13
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

CZX

CZX
Name:	4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
Formula:	C13 H16 N2
SMILES:	C[CH](c1c[nH]cn1)c2cccc(C)c2C
InChi:	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
Definition date:	2019-05-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole

SXG

SXG
Name:	2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
Formula:	C12 H3 F9 N2 O4 S2
SMILES:	N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChi:	InChI=1S/C12H3F9N2O4S2/c13-1-2(14)6(18)12(7(19)3(1)15)29(26,27)23-10-4(16)8(20)11(28(22,24)25)9(21)5(10)17/h23H,(H2,22,24,25)
Definition date:	2019-07-26
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)-4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]benzenesulfonamide

D60

D60
Name:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid
Formula:	C23 H18 F2 N4 O3
SMILES:	Cn1cc(cn1)c2ccc(C(O)=O)c(CCC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2
InChi:	InChI=1S/C23H18F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2,4,6-12H,3,5H2,1H3,(H,26,27)(H,31,32)
Definition date:	2019-07-04
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-propyl]-4-(1-methylpyrazol-4-yl)benzoic acid

T9J

T9J
Name:	Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide
Formula:	C14 H15 Br N2 O3
SMILES:	N(C(Cc1ccc(cc1)O)C(=O)NCC#CBr)C(C)=O
InChi:	InChI=1S/C14H15BrN2O3/c1-10(18)17-13(14(20)16-8-2-7-15)9-11-3-5-12(19)6-4-11/h3-6,13,19H,8-9H2,1H3,(H,16,20)(H,17,18)/t13-/m0/s1
Definition date:	2020-03-18
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide

EHC

EHC
Name:	2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid
Formula:	C21 H16 Cl N O3
SMILES:	OC(=O)c1ccccc1Nc2cccc(Cl)c2c3ccc4OCCc4c3
InChi:	InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25)
Definition date:	2019-12-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid

EHU

EHU
Name:	2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid
Formula:	C20 H17 Cl N2 O2
SMILES:	CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)c3ccccc3
InChi:	InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)
Definition date:	2019-12-24
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid

S6V

S6V
Name:	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
Formula:	C13 H17 N3 O2
SMILES:	O=C(NCCN1CCCC1=O)Nc2ccccc2
InChi:	InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
Definition date:	2020-03-04
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea

KDZ

KDZ
Name:	(3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
Formula:	C16 H16 B O5 S
SMILES:	OC(=O)c1cccc2C[CH](SCc3ccccc3)[B-](O)(O)Oc12
InChi:	InChI=1S/C16H16BO5S/c18-16(19)13-8-4-7-12-9-14(17(20,21)22-15(12)13)23-10-11-5-2-1-3-6-11/h1-8,14,20-21H,9-10H2,(H,18,19)/q-1/t14-/m0/s1
Definition date:	2019-05-14
Last modified:	2020-04-09
Release date:	2020-03-25
Identifier:	(4~{R})-3,3-bis(oxidanyl)-4-(phenylmethylsulfanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid

IEF

IEF
Name:	propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate
Formula:	C16 H32 F O2 P
SMILES:	FP(=O)(OC(C)C)CCCCCCCCCCCC=C
InChi:	InChI=1S/C16H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(17,18)19-16(2)3/h4,16H,1,5-15H2,2-3H3/t20-/m1/s1
Definition date:	2014-12-11
Last modified:	2020-04-08
Release date:	2015-03-11
Identifier:	propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate

3CK

3CK
Name:	beta-D-tagatofuranosyl alpha-D-glucopyranoside
Formula:	C12 H22 O11
SMILES:	O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO
InChi:	InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7+,8+,9-,10+,11-,12+/m1/s1
Definition date:	2014-07-28
Last modified:	2020-04-08
Release date:	2014-08-06
Identifier:	beta-D-tagatofuranosyl alpha-D-glucopyranoside

29E

29E
Name:	(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine
Formula:	C18 H19 N O S
SMILES:	O(c1cccc2c1cccc2)C(c3sccc3)CCNC
InChi:	InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
Synonyms:	Duloxetine
Definition date:	2013-09-11
Last modified:	2020-04-05
Release date:	2013-10-16
Identifier:	(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine

5U0

5U0
Name:	s-farnesyl-l-cysteine methyl ester
Formula:	C19 H33 N O2 S
SMILES:	COC(=O)[CH](N)CSCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1
Definition date:	2015-12-02
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	methyl (2~{R})-2-azanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate

KW8

KW8
Name:	(1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
Formula:	C13 H16 N2
SMILES:	CC[CH]1NCCc2c1[nH]c3ccccc23
InChi:	InChI=1S/C13H16N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-6,11,14-15H,2,7-8H2,1H3/t11-/m0/s1
Definition date:	2019-07-02
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole

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