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B6U

B6U
Name:	3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
Formula:	C23 H12 F3 N3 O3
SMILES:	OCc1ccc(F)c(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5ccccc5C(=O)c34
InChi:	InChI=1S/C23H12F3N3O3/c24-16-6-5-11(10-30)7-15(16)19-17(25)8-12(9-18(19)26)29-21-20(27-28-29)22(31)13-3-1-2-4-14(13)23(21)32/h1-9,30H,10H2
Definition date:	2019-01-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione

F6O

F6O
Name:	N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Formula:	C29 H40 N8 O3 S
SMILES:	COc1cc(ccc1Nc2ncnc(Nc3ccccc3[S](=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5
InChi:	InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)
Definition date:	2020-04-03
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	~{N}4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine

FU6

FU6
Name:	3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide
Formula:	C20 H16 N4 O2
SMILES:	C=CC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCC#C
InChi:	InChI=1S/C20H16N4O2/c1-3-9-21-20(26)14-10-13(11-15(12-14)22-18(25)4-2)19-16-7-5-6-8-17(16)23-24-19/h1,4-8,10-12H,2,9H2,(H,21,26)(H,22,25)(H,23,24)
Definition date:	2020-06-16
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	3-(1~{H}-indazol-3-yl)-5-(prop-2-enoylamino)-~{N}-prop-2-ynyl-benzamide

IHP

IHP
Name:	INOSITOL HEXAKISPHOSPHATE
Formula:	C6 H18 O24 P6
SMILES:	C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChi:	InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
Synonyms:	MYO-INOSITOL HEXAKISPHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-09-23
Identifier:	(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]

VKP

VKP
Name:	6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine
Formula:	C16 H19 Cl2 N5 S
SMILES:	c2(Sc1c(c(ccc1)Cl)Cl)ncc(nc2N)N3CCC(N)(CC3)C
InChi:	InChI=1S/C16H19Cl2N5S/c1-16(20)5-7-23(8-6-16)12-9-21-15(14(19)22-12)24-11-4-2-3-10(17)13(11)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)
Definition date:	2020-08-24
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine

VKS

VKS
Name:	(3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
Formula:	C18 H24 Cl N7 O S
SMILES:	c1cc(c(c(N)n1)Cl)Sc2ncc(nc2N)N4CCC3(C(C(OC3)C)N)CC4
InChi:	InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1
Definition date:	2020-08-24
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	(3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

N1N

N1N
Name:	2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid
Formula:	C21 H15 Cl2 N3 O4 S
SMILES:	Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCc4ccccc4)c3n2)C(O)=O)c(Cl)c1Cl
InChi:	InChI=1S/C21H15Cl2N3O4S/c1-10-15(22)16(23)18(24-10)19(27)26-21-25-17-13(30-9-11-5-3-2-4-6-11)7-12(20(28)29)8-14(17)31-21/h2-8,24H,9H2,1H3,(H,28,29)(H,25,26,27)
Definition date:	2019-11-06
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid

U0G

U0G
Name:	4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile
Formula:	C18 H20 N2 O3
SMILES:	COc2c(cc(c(CCNCc1c(cccc1)O)c2)OC)C#N
InChi:	InChI=1S/C18H20N2O3/c1-22-17-10-15(11-19)18(23-2)9-13(17)7-8-20-12-14-5-3-4-6-16(14)21/h3-6,9-10,20-21H,7-8,12H2,1-2H3
Definition date:	2020-04-08
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile

RYS

RYS
Name:	6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Formula:	C16 H19 F3 N4 O3
SMILES:	C[C]1(O)CCN(C1)c2nc(cc(c2C#N)C(F)(F)F)N3C[CH](O)[CH](O)C3
InChi:	InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12+,15-/m0/s1
Definition date:	2020-03-03
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile

RZA

RZA
Name:	6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Formula:	C15 H17 F3 N4 O3
SMILES:	C[CH]1[CH](O)CN1c2nc(cc(c2C#N)C(F)(F)F)N3C[CH](O)[CH](O)C3
InChi:	InChI=1S/C15H17F3N4O3/c1-7-10(23)6-22(7)14-8(3-19)9(15(16,17)18)2-13(20-14)21-4-11(24)12(25)5-21/h2,7,10-12,23-25H,4-6H2,1H3/t7-,10+,11-,12+/m0/s1
Definition date:	2020-03-03
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile

VPG

VPG
Name:	6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C18 H20 Cl2 N5 O7 P
SMILES:	c1(c(cccc1)CNc2c3c(nc(n2)Cl)n(nc3)C4C(C(C(COCP(=O)(O)O)O4)O)O)Cl
InChi:	InChI=1S/C18H20Cl2N5O7P/c19-11-4-2-1-3-9(11)5-21-15-10-6-22-25(16(10)24-18(20)23-15)17-14(27)13(26)12(32-17)7-31-8-33(28,29)30/h1-4,6,12-14,17,26-27H,5,7-8H2,(H,21,23,24)(H2,28,29,30)/t12-,13-,14-,17-/m1/s1
Definition date:	2020-08-31
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

L3S

L3S
Name:	5-methyl-2-nitrophenol
Formula:	C7 H7 N O3
SMILES:	c1(cc(C)ccc1[N+](=O)[O-])O
InChi:	InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3
Definition date:	2019-02-06
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	5-methyl-2-nitrophenol

L3V

L3V
Name:	N-[4-(hydroxymethyl)phenyl]acetamide
Formula:	C9 H11 N O2
SMILES:	CC(=O)Nc1ccc(CO)cc1
InChi:	InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-5,11H,6H2,1H3,(H,10,12)
Definition date:	2019-02-06
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	N-[4-(hydroxymethyl)phenyl]acetamide

L3Y

L3Y
Name:	4-(methylsulfonyl)benzaldehyde
Formula:	C8 H8 O3 S
SMILES:	CS(c1ccc(C=O)cc1)(=O)=O
InChi:	InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3
Definition date:	2019-02-06
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	4-(methylsulfonyl)benzaldehyde

VQV

VQV
Name:	1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione
Formula:	C9 H14 N2 O12 P2
SMILES:	O=C1N(C=CC(=O)N1)C2C(O)C(OP(O)(=O)O)C(COP(O)(O)=O)O2
InChi:	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7+,8+/m0/s1
Definition date:	2020-09-08
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione

QV5

QV5
Name:	5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
Formula:	C22 H24 Cl F N4 O2
SMILES:	CC(C)Oc1cc(ccc1c2c([nH]c3cc(F)c(Cl)cc23)C(N)=O)N4CCNCC4
InChi:	InChI=1S/C22H24ClFN4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29)
Definition date:	2020-08-13
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide

QVB

QVB
Name:	5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide
Formula:	C18 H16 Cl F N2 O2
SMILES:	CC(C)Oc1ccccc1c2c([nH]c3cc(F)c(Cl)cc23)C(N)=O
InChi:	InChI=1S/C18H16ClFN2O2/c1-9(2)24-15-6-4-3-5-10(15)16-11-7-12(19)13(20)8-14(11)22-17(16)18(21)23/h3-9,22H,1-2H3,(H2,21,23)
Definition date:	2020-08-13
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide

N6E

N6E
Name:	N6-Methyladenosine 5'-triphosphate
Formula:	C11 H18 N5 O13 P3
SMILES:	CNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C11H18N5O13P3/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Definition date:	2019-11-14
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

QVK

QVK
Name:	5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide
Formula:	C15 H11 Cl N2 O
SMILES:	NC(=O)c1[nH]c2ccc(Cl)cc2c1c3ccccc3
InChi:	InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)13(14(18-12)15(17)19)9-4-2-1-3-5-9/h1-8,18H,(H2,17,19)
Definition date:	2020-08-14
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide

QW5

QW5
Name:	5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide
Formula:	C16 H13 Cl N2 O2
SMILES:	COc1cccc(c1)c2c([nH]c3ccc(Cl)cc23)C(N)=O
InChi:	InChI=1S/C16H13ClN2O2/c1-21-11-4-2-3-9(7-11)14-12-8-10(17)5-6-13(12)19-15(14)16(18)20/h2-8,19H,1H3,(H2,18,20)
Definition date:	2020-08-14
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide

UZM

UZM
Name:	(3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide
Formula:	C14 H18 Cl2 N2 O3 S
SMILES:	c1c(cc(c(c1)C(CC(NO)=O)CC(=O)NCCCS)Cl)Cl
InChi:	InChI=1S/C14H18Cl2N2O3S/c15-10-2-3-11(12(16)8-10)9(7-14(20)18-21)6-13(19)17-4-1-5-22/h2-3,8-9,21-22H,1,4-7H2,(H,17,19)(H,18,20)/t9-/m0/s1
Definition date:	2020-06-09
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	(3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide

UZP

UZP
Name:	(3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide
Formula:	C16 H22 Cl2 N2 O3
SMILES:	c1c(cc(c(C(CC(=O)NCCCCC)CC(=O)NO)c1)Cl)Cl
InChi:	InChI=1S/C16H22Cl2N2O3/c1-2-3-4-7-19-15(21)8-11(9-16(22)20-23)13-6-5-12(17)10-14(13)18/h5-6,10-11,23H,2-4,7-9H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1
Definition date:	2020-06-09
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	(3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide

UZV

UZV
Name:	N-hydroxy-5-sulfanylpentanamide
Formula:	C5 H11 N O2 S
SMILES:	C(CCCCS)(NO)=O
InChi:	InChI=1S/C5H11NO2S/c7-5(6-8)3-1-2-4-9/h8-9H,1-4H2,(H,6,7)
Definition date:	2020-06-09
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	N-hydroxy-5-sulfanylpentanamide

UZY

UZY
Name:	N-hydroxy-6-sulfanylhexanamide
Formula:	C6 H13 N O2 S
SMILES:	C(CCCCCS)(NO)=O
InChi:	InChI=1S/C6H13NO2S/c8-6(7-9)4-2-1-3-5-10/h9-10H,1-5H2,(H,7,8)
Definition date:	2020-06-09
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	N-hydroxy-6-sulfanylhexanamide

V0J

V0J
Name:	(2R)-4-(butyl{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid
Formula:	C39 H41 N7 O4
SMILES:	C(C(N1C(C(=O)O)CN(CC1)C(N(Cc2ccc(cc2)c4c(c3nnnn3)cccc4)CCCC)=O)=O)(c5ccccc5)(c6ccccc6)C
InChi:	InChI=1S/C39H41N7O4/c1-3-4-23-44(26-28-19-21-29(22-20-28)32-17-11-12-18-33(32)35-40-42-43-41-35)38(50)45-24-25-46(34(27-45)36(47)48)37(49)39(2,30-13-7-5-8-14-30)31-15-9-6-10-16-31/h5-22,34H,3-4,23-27H2,1-2H3,(H,47,48)(H,40,41,42,43)/t34-/m1/s1
Definition date:	2020-06-10
Last modified:	2020-09-18
Release date:	2020-09-23
Identifier:	(2R)-4-(butyl{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid

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