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MHG

MHG
Name:	2-methyl, 7-(3-methyl-pentane), guanosine-5'-monophosphate
Formula:	C17 H30 N5 O8 P
SMILES:	CC[CH](C)CCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)NC
InChi:	InChI=1S/C17H30N5O8P/c1-4-9(2)5-6-21-8-22(14-11(21)15(25)20-17(18-3)19-14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h9-10,12-13,16,23-24H,4-8H2,1-3H3,(H2,26,27,28)(H2,18,19,20,25)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2017-09-25
Last modified:	2019-05-03
Release date:	2018-01-24
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2-(methylamino)-7-[(3~{S})-3-methylpentyl]-6-oxidanylidene-1,8-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

KHY

KHY
Name:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
Formula:	C29 H28 Cl F6 N5 O2
SMILES:	c32c(c(CN1CCC(CC1)C(F)(F)F)c(nc2ccc(c3)C(c4cnc(C)n4C)(O)c5ccnc(c5)C(F)(F)F)OC)Cl
InChi:	InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1
Definition date:	2018-12-10
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol

KR4

KR4
Name:	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
Formula:	C19 H19 Cl N4 O
SMILES:	c2(nc(CC)nc(c1cc(Cl)ccc1)n2)Nc3ccc(cc3)CCO
InChi:	InChI=1S/C19H19ClN4O/c1-2-17-22-18(14-4-3-5-15(20)12-14)24-19(23-17)21-16-8-6-13(7-9-16)10-11-25/h3-9,12,25H,2,10-11H2,1H3,(H,21,22,23,24)
Definition date:	2019-01-08
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol

KR7

KR7
Name:	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
Formula:	C21 H15 Cl F3 N O2
SMILES:	C(c2cc(C(F)(F)F)nc(c1cccc(c1)Cl)c2)c3ccc(cc3)CC(=O)O
InChi:	InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)
Definition date:	2019-01-08
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid

KRD

KRD
Name:	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
Formula:	C19 H18 Cl N5 O
SMILES:	Clc1cccc(c1)c2nc(nc(n2)Nc3ccc(cc3)CC(N)=O)CC
InChi:	InChI=1S/C19H18ClN5O/c1-2-17-23-18(13-4-3-5-14(20)11-13)25-19(24-17)22-15-8-6-12(7-9-15)10-16(21)26/h3-9,11H,2,10H2,1H3,(H2,21,26)(H,22,23,24,25)
Definition date:	2019-01-09
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide

KSY

KSY
Name:	4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O3
SMILES:	c21C(=O)NC(c1c(ccc2)NCCCc3cccc(O)c3)=O
InChi:	InChI=1S/C17H16N2O3/c20-12-6-1-4-11(10-12)5-3-9-18-14-8-2-7-13-15(14)17(22)19-16(13)21/h1-2,4,6-8,10,18,20H,3,5,9H2,(H,19,21,22)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KT1

KT1
Name:	4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C18 H18 N2 O4
SMILES:	c2cc1C(=O)NC(c1c(c2)NCCCc3c(OC)cc(cc3)O)=O
InChi:	InChI=1S/C18H18N2O4/c1-24-15-10-12(21)8-7-11(15)4-3-9-19-14-6-2-5-13-16(14)18(23)20-17(13)22/h2,5-8,10,19,21H,3-4,9H2,1H3,(H,20,22,23)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KT4

KT4
Name:	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O4
SMILES:	C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3ccc(cc3O)O
InChi:	InChI=1S/C17H16N2O4/c20-11-7-6-10(14(21)9-11)3-2-8-18-13-5-1-4-12-15(13)17(23)19-16(12)22/h1,4-7,9,18,20-21H,2-3,8H2,(H,19,22,23)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KT7

KT7
Name:	5-hydroxy-1H-isoindole-1,3(2H)-dione
Formula:	C8 H5 N O3
SMILES:	c1c(ccc2C(NC(c12)=O)=O)O
InChi:	InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-3,10H,(H,9,11,12)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	5-hydroxy-1H-isoindole-1,3(2H)-dione

KTG

KTG
Name:	4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O3
SMILES:	C(CCNc2cccc1C(=O)NC(c12)=O)c3ccc(cc3)O
InChi:	InChI=1S/C17H16N2O3/c20-12-8-6-11(7-9-12)3-2-10-18-14-5-1-4-13-15(14)17(22)19-16(13)21/h1,4-9,18,20H,2-3,10H2,(H,19,21,22)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

KTM

KTM
Name:	4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H12 N2 O3
SMILES:	c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O
InChi:	InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

KTV

KTV
Name:	4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H12 N2 O3
SMILES:	C1(=O)c2c(C(N1)=O)cccc2NCc3cc(O)ccc3
InChi:	InChI=1S/C15H12N2O3/c18-10-4-1-3-9(7-10)8-16-12-6-2-5-11-13(12)15(20)17-14(11)19/h1-7,16,18H,8H2,(H,17,19,20)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

EWE

EWE
Name:	[(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium
Formula:	C19 H23 N5 O6 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)[CH]([NH3+])Cc2c[nH]c3ccccc23)c1O
InChi:	InChI=1S/C19H22N5O6P/c1-11-18(25)15(13(8-21-11)10-30-31(27,28)29)9-23-24-19(26)16(20)6-12-7-22-17-5-3-2-4-14(12)17/h2-5,7-9,16,22,25H,6,10,20H2,1H3,(H,24,26)(H2,27,28,29)/p+1/b23-9+/t16-/m0/s1
Definition date:	2018-04-27
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	[(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium

EX5

EX5
Name:	Jerantinine B
Formula:	C24 H28 N2 O6
SMILES:	CC[C]12CC(=C3Nc4cc(OC)c(OC(C)=O)cc4[C]35CCN(C[CH]6O[CH]16)[CH]25)C(=O)OC
InChi:	InChI=1S/C24H28N2O6/c1-5-23-10-13(21(28)30-4)19-24(6-7-26(22(23)24)11-18-20(23)32-18)14-8-17(31-12(2)27)16(29-3)9-15(14)25-19/h8-9,18,20,22,25H,5-7,10-11H2,1-4H3/t18-,20-,22-,23+,24-/m0/s1
Definition date:	2018-05-01
Last modified:	2019-05-03
Release date:	2019-05-08

ONC

ONC
Name:	7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one
Formula:	C24 H24 N4 O
SMILES:	Cc1c(cccc1)CN4C(C=2CN(CCC=2n3c4ncc3)Cc5ccccc5)=O
InChi:	InChI=1S/C24H24N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10,12,14H,11,13,15-17H2,1H3
Definition date:	2018-06-03
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one

M3D

M3D
Name:	7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
Formula:	C28 H25 N3 O4
SMILES:	C2=C(C(=O)NCCN1CCOCC1)c4ccc(cc4Oc3c2cccc3)c5ccc(O)c(C#N)c5
InChi:	InChI=1S/C28H25N3O4/c29-18-22-15-19(6-8-25(22)32)20-5-7-23-24(28(33)30-9-10-31-11-13-34-14-12-31)16-21-3-1-2-4-26(21)35-27(23)17-20/h1-8,15-17,32H,9-14H2,(H,30,33)
Definition date:	2019-03-20
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide

M5J

M5J
Name:	1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
Formula:	C15 H20 F N O
SMILES:	c2cc(cc(C1N(CCC1)C(C(C)(C)C)=O)c2)F
InChi:	InChI=1S/C15H20FNO/c1-15(2,3)14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
Definition date:	2019-03-26
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

8AG

8AG
Name:	8-[ACETYL(ANTHRACEN-2-YL)AMINO]-2'-DEOXYGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C26 H27 N6 O8 P
SMILES:	O=C(N(c3cc2cc1ccccc1cc2cc3)C5N(C=4N=C(N)NC(=O)C=4N5)C6OC(C(O)C6)COP(=O)(O)O)C
InChi:	InChI=1S/C26H27N6O8P/c1-13(33)31(18-7-6-16-8-14-4-2-3-5-15(14)9-17(16)10-18)26-28-22-23(29-25(27)30-24(22)35)32(26)21-11-19(34)20(40-21)12-39-41(36,37)38/h2-10,19-21,26,28,34H,11-12H2,1H3,(H2,36,37,38)(H3,27,29,30,35)/t19-,20+,21+,26+/m0/s1
Definition date:	2010-06-07
Last modified:	2019-05-03
Identifier:	8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)

LD4

LD4
Name:	N-cycloheptylpyrimidin-2-amine
Formula:	C11 H17 N3
SMILES:	n1c(nccc1)NC2CCCCCC2
InChi:	InChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-cycloheptylpyrimidin-2-amine

LD7

LD7
Name:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Formula:	C12 H12 F N3 O2
SMILES:	n2oc(C(NCc1ccc(F)cc1)=O)nc2CC
InChi:	InChI=1S/C12H12FN3O2/c1-2-10-15-12(18-16-10)11(17)14-7-8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

LDD

LDD
Name:	(azepan-1-yl)(4-methoxyphenyl)methanone
Formula:	C14 H19 N O2
SMILES:	N1(CCCCCC1)C(c2ccc(cc2)OC)=O
InChi:	InChI=1S/C14H19NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	(azepan-1-yl)(4-methoxyphenyl)methanone

LDJ

LDJ
Name:	2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide
Formula:	C10 H15 N3 O2 S
SMILES:	N(/C(C(C)C)=O)=C2NN=C(C1OCCC1)S2
InChi:	InChI=1S/C10H15N3O2S/c1-6(2)8(14)11-10-13-12-9(16-10)7-4-3-5-15-7/h6-7H,3-5H2,1-2H3,(H,11,13,14)/t7-/m0/s1
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide

LDS

LDS
Name:	N-(4-ethoxyphenyl)pyrazine-2-carboxamide
Formula:	C13 H13 N3 O2
SMILES:	n2ccnc(C(Nc1ccc(cc1)OCC)=O)c2
InChi:	InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	N-(4-ethoxyphenyl)pyrazine-2-carboxamide

LDV

LDV
Name:	3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
Formula:	C15 H20 N2
SMILES:	N1(CCC(CC1)C)Cc3c2c(cccc2)nc3
InChi:	InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

LE4

LE4
Name:	[2-(cycloheptylamino)pyrimidin-4-yl]methanol
Formula:	C12 H19 N3 O
SMILES:	n1c(nc(CO)cc1)NC2CCCCCC2
InChi:	InChI=1S/C12H19N3O/c16-9-11-7-8-13-12(15-11)14-10-5-3-1-2-4-6-10/h7-8,10,16H,1-6,9H2,(H,13,14,15)
Definition date:	2019-02-22
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	[2-(cycloheptylamino)pyrimidin-4-yl]methanol

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