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1FI

1FI
Name:	3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide
Formula:	C13 H11 F3 N4 O
SMILES:	NC(=O)c1nccnc1NCc2ccccc2C(F)(F)F
InChi:	InChI=1S/C13H11F3N4O/c14-13(15,16)9-4-2-1-3-8(9)7-20-12-10(11(17)21)18-5-6-19-12/h1-6H,7H2,(H2,17,21)(H,19,20)
Definition date:	2021-06-09
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide

GQ0

GQ0
Name:	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
Formula:	C13 H15 Cl N6 O
SMILES:	CC(C)(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1
InChi:	InChI=1S/C13H15ClN6O/c1-13(2,3)8-4-7(21-19-8)5-20-6-16-9-10(14)17-12(15)18-11(9)20/h4,6H,5H2,1-3H3,(H2,15,17,18)
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	9-[(3-~{tert}-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine

GQ3

GQ3
Name:	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
Formula:	C13 H17 Cl N6 O
SMILES:	CC(C)(C)C1=NO[CH](Cn2cnc3c(Cl)nc(N)nc23)C1
InChi:	InChI=1S/C13H17ClN6O/c1-13(2,3)8-4-7(21-19-8)5-20-6-16-9-10(14)17-12(15)18-11(9)20/h6-7H,4-5H2,1-3H3,(H2,15,17,18)/t7-/m1/s1
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	9-[(3-~{tert}-butyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine

GQ6

GQ6
Name:	6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine
Formula:	C13 H12 Cl N5
SMILES:	Cc1ccc(Cn2cnc3c(Cl)nc(N)nc23)cc1
InChi:	InChI=1S/C13H12ClN5/c1-8-2-4-9(5-3-8)6-19-7-16-10-11(14)17-13(15)18-12(10)19/h2-5,7H,6H2,1H3,(H2,15,17,18)
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine

GQ9

GQ9
Name:	6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
Formula:	C15 H11 Cl N6 O
SMILES:	Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1
InChi:	InChI=1S/C15H11ClN6O/c16-12-11-13(21-15(17)20-12)22(8-19-11)7-10-6-18-14(23-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,17,20,21)
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine

GUC

GUC
Name:	N-[3-[(3S)-1-azanyl-5-fluoranyl-3-methyl-4H-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
Formula:	C23 H18 F2 N6 O
SMILES:	Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C]3(C)Cc4c(F)nccc4C(=N3)N)C#N
InChi:	InChI=1S/C23H18F2N6O/c1-12-7-13(10-26)11-29-19(12)22(32)30-14-3-4-18(24)17(8-14)23(2)9-16-15(21(27)31-23)5-6-28-20(16)25/h3-8,11H,9H2,1-2H3,(H2,27,31)(H,30,32)/t23-/m0/s1
Definition date:	2020-09-24
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	~{N}-[3-[(3~{S})-1-azanyl-5-fluoranyl-3-methyl-4~{H}-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide

OLQ

OLQ
Name:	2,6-difluoro-3-methoxybenzamide
Formula:	C8 H7 F2 N O2
SMILES:	COc1ccc(F)c(C(N)=O)c1F
InChi:	InChI=1S/C8H7F2NO2/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H2,11,12)
Synonyms:	2,6-bis(fluoranyl)-3-methoxy-benzamide
Definition date:	2020-03-20
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2,6-bis(fluoranyl)-3-methoxy-benzamide

OM8

OM8
Name:	3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide
Formula:	C14 H10 Cl F2 N O2
SMILES:	NC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F
InChi:	InChI=1S/C14H10ClF2NO2/c15-9-3-1-2-8(6-9)7-20-11-5-4-10(16)12(13(11)17)14(18)19/h1-6H,7H2,(H2,18,19)
Definition date:	2020-03-20
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide

OMW

OMW
Name:	2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
Formula:	C15 H10 F5 N O2
SMILES:	NC(=O)c1c(F)ccc(OCc2cccc(c2)C(F)(F)F)c1F
InChi:	InChI=1S/C15H10F5NO2/c16-10-4-5-11(13(17)12(10)14(21)22)23-7-8-2-1-3-9(6-8)15(18,19)20/h1-6H,7H2,(H2,21,22)
Definition date:	2020-03-20
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide

GG0

GG0
Name:	2-(2-azanylethanoylamino)ethanoic acid
Formula:	C4 H8 N2 O3
SMILES:	NCC(=O)NCC(O)=O
InChi:	InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
Definition date:	2020-08-07
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2-(2-azanylethanoylamino)ethanoic acid

GOU

GOU
Name:	6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine
Formula:	C12 H13 Cl N6 O
SMILES:	CC(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1
InChi:	InChI=1S/C12H13ClN6O/c1-6(2)8-3-7(20-18-8)4-19-5-15-9-10(13)16-12(14)17-11(9)19/h3,5-6H,4H2,1-2H3,(H2,14,16,17)
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine

QPB

QPB
Name:	methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate
Formula:	C11 H12 O3
SMILES:	COC(=O)C(C)=Cc1ccc(O)cc1
InChi:	InChI=1S/C11H12O3/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-7,12H,1-2H3/b8-7-
Definition date:	2020-07-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate

QPE

QPE
Name:	methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate
Formula:	C11 H12 O2
SMILES:	COC(=O)C(C)=Cc1ccccc1
InChi:	InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-
Definition date:	2020-07-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate

QPK

QPK
Name:	3-chloranyl-2,6-bis(fluoranyl)phenol
Formula:	C6 H3 Cl F2 O
SMILES:	Oc1c(F)ccc(Cl)c1F
InChi:	InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
Definition date:	2020-07-17
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-chloranyl-2,6-bis(fluoranyl)phenol

QPN

QPN
Name:	1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
Formula:	C15 H16 F N3 O
SMILES:	CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3
InChi:	InChI=1S/C15H16FN3O/c1-2-15(20)18-7-6-14-11(10-18)9-17-19(14)13-5-3-4-12(16)8-13/h3-5,8-9H,2,6-7,10H2,1H3
Definition date:	2020-07-17
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

QTB

QTB
Name:	(3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one
Formula:	C18 H28 O
SMILES:	C[CH]1CCCC(C)(C)[CH]1C=CC(C)=CC=CC(C)=O
InChi:	InChI=1S/C18H28O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12,15,17H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+/t15-,17+/m1/s1
Definition date:	2020-08-06
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one

0W4

0W4
Name:	~{N}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
Formula:	C19 H16 Cl2 N4 O
SMILES:	Clc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3Cl
InChi:	InChI=1S/C19H16Cl2N4O/c20-15-7-3-1-5-13(15)11-24-18-17(22-9-10-23-18)19(26)25-12-14-6-2-4-8-16(14)21/h1-10H,11-12H2,(H,23,24)(H,25,26)
Definition date:	2021-06-09
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	~{N}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide

0X7

0X7
Name:	3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
Formula:	C13 H14 N4 O
SMILES:	Cc1ccccc1CNc2nccnc2C(N)=O
InChi:	InChI=1S/C13H14N4O/c1-9-4-2-3-5-10(9)8-17-13-11(12(14)18)15-6-7-16-13/h2-7H,8H2,1H3,(H2,14,18)(H,16,17)
Definition date:	2021-06-09
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide

0YI

0YI
Name:	3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
Formula:	C12 H11 Cl N4 O
SMILES:	NC(=O)c1nccnc1NCc2ccccc2Cl
InChi:	InChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-17-12-10(11(14)18)15-5-6-16-12/h1-6H,7H2,(H2,14,18)(H,16,17)
Definition date:	2021-06-09
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide

0YK

0YK
Name:	7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide
Formula:	C19 H23 N3 O3 S
SMILES:	CC1=CN2CC[S](=O)(=O)N=C2C(=N1)c3ccc(OC4CCCCC4)cc3
InChi:	InChI=1S/C19H23N3O3S/c1-14-13-22-11-12-26(23,24)21-19(22)18(20-14)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3
Definition date:	2021-06-17
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	9-(4-cyclohexyloxyphenyl)-7-methyl-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine 2,2-dioxide

S7N

S7N
Name:	(phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
Formula:	C22 H33 N3 O5 S
SMILES:	CSCC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O
InChi:	InChI=1S/C22H33N3O5S/c1-14(2)19(25-22(29)30-13-17-9-7-6-8-10-17)21(28)23-15(3)20(27)24-18(16(4)26)11-12-31-5/h6-10,14-15,18-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/t15-,18-,19+/m0/s1
Synonyms:	Z-VAM-FMK
Definition date:	2020-11-10
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate

S7Q

S7Q
Name:	(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
Formula:	C22 H33 N3 O5 S
SMILES:	CSCC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O
InChi:	InChI=1S/C22H33N3O5S/c1-14(2)19(25-22(29)30-13-17-9-7-6-8-10-17)21(28)23-15(3)20(27)24-18(16(4)26)11-12-31-5/h6-10,14-15,18-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/t15-,18-,19+/m1/s1
Synonyms:	zVAM.fmk
Definition date:	2020-11-10
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate

TEQ

TEQ
Name:	5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
Formula:	C21 H19 F N6
SMILES:	Cc1ncccc1[CH]2C[CH](Nc3n2ncc3F)c4cccc5nc(N)ccc45
InChi:	InChI=1S/C21H19FN6/c1-12-13(5-3-9-24-12)19-10-18(27-21-16(22)11-25-28(19)21)14-4-2-6-17-15(14)7-8-20(23)26-17/h2-9,11,18-19,27H,10H2,1H3,(H2,23,26)/t18-,19+/m0/s1
Synonyms:	5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
Definition date:	2020-12-21
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine

USE

USE
Name:	Orientin
Formula:	C21 H20 O11
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)c(O)c4
InChi:	InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
Synonyms:	2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one
Definition date:	2021-03-12
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one

UTG

UTG
Name:	N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
Formula:	C12 H11 Cl N2 O S
SMILES:	c1cccc(c1NC(NCc2ccco2)=S)Cl
InChi:	InChI=1S/C12H11ClN2OS/c13-10-5-1-2-6-11(10)15-12(17)14-8-9-4-3-7-16-9/h1-7H,8H2,(H2,14,15,17)
Definition date:	2020-06-01
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea

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