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WNG

WNG
Name:	N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine
Formula:	C15 H13 N3
SMILES:	c2(nc1c(cccc1)n2)N[C@H]=Cc3ccccc3
InChi:	InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-11H,(H2,16,17,18)/b11-10-
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine

WNJ

WNJ
Name:	N-{[(3R)-pyrrolidin-3-yl]methyl}pyridin-2-amine
Formula:	C10 H15 N3
SMILES:	C1CNCC1CNc2ccccn2
InChi:	InChI=1S/C10H15N3/c1-2-5-12-10(3-1)13-8-9-4-6-11-7-9/h1-3,5,9,11H,4,6-8H2,(H,12,13)/t9-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-{[(3R)-pyrrolidin-3-yl]methyl}pyridin-2-amine

WNM

WNM
Name:	(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine
Formula:	C10 H14 N2 O2 S
SMILES:	c2(S(N1CCC(N)C1)(=O)=O)ccccc2
InChi:	InChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine

WNP

WNP
Name:	N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
Formula:	C8 H5 Cl F3 N O
SMILES:	c1cc(NC(C(F)(F)F)=O)cc(c1)Cl
InChi:	InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(3-chlorophenyl)-2,2,2-trifluoroacetamide

WNV

WNV
Name:	N,N,2,3-tetramethylbenzamide
Formula:	C11 H15 N O
SMILES:	c1(cccc(C(=O)N(C)C)c1C)C
InChi:	InChI=1S/C11H15NO/c1-8-6-5-7-10(9(8)2)11(13)12(3)4/h5-7H,1-4H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N,N,2,3-tetramethylbenzamide

WNY

WNY
Name:	1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
Formula:	C12 H15 Cl N2 O
SMILES:	c2(N1CCN(C(C)=O)CC1)ccc(cc2)Cl
InChi:	InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one

WO1

WO1
Name:	(3R)-1-methylpiperidin-3-yl furan-2-carboxylate
Formula:	C11 H15 N O3
SMILES:	c2cc(C(=O)OC1CCCN(C)C1)oc2
InChi:	InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3R)-1-methylpiperidin-3-yl furan-2-carboxylate

WO7

WO7
Name:	1-(1,4-diazepan-1-yl)ethan-1-one
Formula:	C7 H14 N2 O
SMILES:	C1CNCCCN1C(C)=O
InChi:	InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-(1,4-diazepan-1-yl)ethan-1-one

WOA

WOA
Name:	(3S)-3-(methylamino)-1-phenylpiperidin-2-one
Formula:	C12 H16 N2 O
SMILES:	c2(N1CCCC(NC)C1=O)ccccc2
InChi:	InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3S)-3-(methylamino)-1-phenylpiperidin-2-one

WOD

WOD
Name:	3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
Formula:	C9 H13 N3 O
SMILES:	C1C(CNC1)c3onc(C2CC2)n3
InChi:	InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole

WOJ

WOJ
Name:	(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
Formula:	C7 H16 N2 O2 S
SMILES:	CC1CN(CCC1N)S(C)(=O)=O
InChi:	InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine

C5F

C5F
Name:	2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid
Formula:	C13 H14 Cl2 O3
SMILES:	C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C
InChi:	InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1
Definition date:	2019-01-23
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid

CD0

CD0
Name:	2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol
Formula:	C21 H32 O2
SMILES:	c1(c(c(O)cc(c1)CCCCC)C2C(CCC(C2)C)/C(C)=C)O
InChi:	InChI=1S/C21H32O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,15,17-18,22-23H,2,5-11H2,1,3-4H3/t15-,17-,18+/m0/s1
Definition date:	2018-05-09
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol

NQD

NQD
Name:	(2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
Formula:	C27 H38 O4
SMILES:	C(CC(=CCCC2(C)CCc1cc(cc(c1O2)C)O)C)[C@H]=C(C)CCC=C(/C(=O)O)C
InChi:	InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13-/t27-/m1/s1
Synonyms:	garcinoic acid
Definition date:	2019-05-23
Last modified:	2020-11-06
Release date:	2020-04-01
Identifier:	(2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid

F80

F80
Name:	N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
Formula:	C19 H25 N5 O
SMILES:	CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1
InChi:	InChI=1S/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24)
Definition date:	2020-04-08
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine

N47

N47
Name:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
Formula:	C20 H29 N5 O2
SMILES:	N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(C)c3)C
InChi:	InChI=1S/C20H29N5O2/c1-15-13-19(21-2)24-20(22-15)23-16-7-8-17(26-3)18(14-16)27-12-6-11-25-9-4-5-10-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,23,24)
Definition date:	2019-05-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine

E0O

E0O
Name:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid
Formula:	C10 H11 Cl O3
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(O)=O
InChi:	InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
Definition date:	2019-09-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid

EA6

EA6
Name:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula:	C14 H19 Cl F N5 O2
SMILES:	CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl
InChi:	InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20)
Definition date:	2019-11-28
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

H3U

H3U
Name:	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
Formula:	C25 H21 N3 O11 S3
SMILES:	Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)
Definition date:	2020-11-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

QR2

QR2
Name:	5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one
Formula:	C9 H4 Cl F3 N2 O2
SMILES:	FC(F)(F)c1cc(ccc1Cl)C2=NNC(=O)O2
InChi:	InChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16)
Definition date:	2020-07-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one

K7M

K7M
Name:	(2R)-N-hydroxy-1-phenylpropan-2-amine
Formula:	C9 H13 N O
SMILES:	c1ccccc1CC(C)NO
InChi:	InChI=1S/C9H13NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1
Synonyms:	N-(1-phenylpropan-2-yl)hydroxylamine
Definition date:	2018-11-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-N-hydroxy-1-phenylpropan-2-amine

RFT

RFT
Name:	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
Formula:	C15 H24 N2 O3 S3
SMILES:	C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O
InChi:	InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20)
Definition date:	2020-05-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate

RH8

RH8
Name:	~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula:	C21 H21 F N8
SMILES:	CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2F
InChi:	InChI=1S/C21H21FN8/c1-28-9-11-29(12-10-28)20-5-4-15(13-17(20)22)26-21-23-8-6-18(27-21)16-14-25-30-19(16)3-2-7-24-30/h2-8,13-14H,9-12H2,1H3,(H,23,26,27)
Definition date:	2020-09-29
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

Q52

Q52
Name:	~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
Formula:	C23 H27 Cl N4 O
SMILES:	COc1ccc2nccc(CCN3CCC(CC3)NCc4ccc(Cl)cc4)c2n1
InChi:	InChI=1S/C23H27ClN4O/c1-29-22-7-6-21-23(27-22)18(8-12-25-21)9-13-28-14-10-20(11-15-28)26-16-17-2-4-19(24)5-3-17/h2-8,12,20,26H,9-11,13-16H2,1H3
Definition date:	2020-05-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	~{N}-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

EWR

EWR
Name:	(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
Formula:	C25 H29 N O4 S
SMILES:	CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O
InChi:	InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid

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