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WHM

WHM
Name:	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
Formula:	C10 H12 F N O2 S
SMILES:	c2(CN1CCCS1(=O)=O)cccc(c2)F
InChi:	InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione

WHP

WHP
Name:	N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide
Formula:	C9 H12 Cl N O2 S
SMILES:	c1cccc(Cl)c1C(NS(=O)(C)=O)C
InChi:	InChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide

WHS

WHS
Name:	4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
Formula:	C9 H14 N2 O S
SMILES:	n1c(C)csc1NCC2CCCO2
InChi:	InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine

WHV

WHV
Name:	(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
Formula:	C8 H14 N2 S
SMILES:	n1c(C)c(C(NC)C)sc1C
InChi:	InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m0/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine

WHY

WHY
Name:	4-[(dimethylamino)methyl]benzonitrile
Formula:	C10 H12 N2
SMILES:	N#Cc1ccc(CN(C)C)cc1
InChi:	InChI=1S/C10H12N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,8H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-[(dimethylamino)methyl]benzonitrile

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

WJ4

WJ4
Name:	4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
Formula:	C7 H10 Cl N3 O S
SMILES:	n1c(c(Cl)sn1)CN2CCOCC2
InChi:	InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine

WJ7

WJ7
Name:	2-bromo-4-fluoro-N,N-dimethylbenzamide
Formula:	C9 H9 Br F N O
SMILES:	c1cc(cc(Br)c1C(N(C)C)=O)F
InChi:	InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-bromo-4-fluoro-N,N-dimethylbenzamide

WJA

WJA
Name:	N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
Formula:	C6 H10 N2 O3 S
SMILES:	n1c(CS(NC)(=O)=O)cc(o1)C
InChi:	InChI=1S/C6H10N2O3S/c1-5-3-6(8-11-5)4-12(9,10)7-2/h3,7H,4H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

WJD

WJD
Name:	2-methoxy-N-phenylacetamide
Formula:	C9 H11 N O2
SMILES:	c1ccccc1NC(COC)=O
InChi:	InChI=1S/C9H11NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-methoxy-N-phenylacetamide

WJG

WJG
Name:	(S)-1-(4-methoxyphenyl)-1-phenylmethanamine
Formula:	C14 H15 N O
SMILES:	c2(C(N)c1ccccc1)ccc(OC)cc2
InChi:	InChI=1S/C14H15NO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,15H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(S)-1-(4-methoxyphenyl)-1-phenylmethanamine

WJJ

WJJ
Name:	(2R)-3-(4-bromophenyl)-2-methylpropanamide
Formula:	C10 H12 Br N O
SMILES:	c1cc(ccc1CC(C)C(N)=O)Br
InChi:	InChI=1S/C10H12BrNO/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-3-(4-bromophenyl)-2-methylpropanamide

WJM

WJM
Name:	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Formula:	C11 H15 N3 O3
SMILES:	N1(CCN(CC1)C(=O)c2ccco2)CC(N)=O
InChi:	InChI=1S/C11H15N3O3/c12-10(15)8-13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2,(H2,12,15)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

WJS

WJS
Name:	(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
Formula:	C24 H20 N O9 P
SMILES:	[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[CH](O)CO[PH](O)(=O)OC[CH]([NH3])C(O)=O
InChi:	InChI=1S/C24H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26,35H,2-20H2,1,25H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid

WK4

WK4
Name:	2-(1H-imidazol-1-yl)ethyl dimethylcarbamate
Formula:	C8 H13 N3 O2
SMILES:	c1cncn1CCOC(=O)N(C)C
InChi:	InChI=1S/C8H13N3O2/c1-10(2)8(12)13-6-5-11-4-3-9-7-11/h3-4,7H,5-6H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-(1H-imidazol-1-yl)ethyl dimethylcarbamate

WK7

WK7
Name:	3-fluoro-4-(piperazin-1-yl)benzonitrile
Formula:	C11 H12 F N3
SMILES:	C2N(c1c(F)cc(C#N)cc1)CCNC2
InChi:	InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-fluoro-4-(piperazin-1-yl)benzonitrile

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

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

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

QKJ

QKJ
Name:	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
Formula:	C18 H24 N4 O4
SMILES:	c1ccc(CCC(=O)O)cc1OCCCOc2c(CC)nc(nc2N)N
InChi:	InChI=1S/C18H24N4O4/c1-2-14-16(17(19)22-18(20)21-14)26-10-4-9-25-13-6-3-5-12(11-13)7-8-15(23)24/h3,5-6,11H,2,4,7-10H2,1H3,(H,23,24)(H4,19,20,21,22)
Definition date:	2019-11-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic 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

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

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

RUZ

RUZ
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate
Formula:	C16 H23 N5 O9 S
SMILES:	N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23
InChi:	InChI=1S/C16H23N5O9S/c17-8-1-7(3-22)2-10-12(8)21(6-19-10)16-14(25)13(24)11(30-16)5-29-31(27,28)20-15(26)9(18)4-23/h1-2,6,9,11,13-14,16,22-25H,3-5,17-18H2,(H,20,26)/t9-,11+,13+,14+,16+/m0/s1
Synonyms:	SerS7HMDDA
Definition date:	2020-10-21
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate

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