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62V
62V
Name:6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine
Formula:C18 H13 Cl N2 O
SMILES:c1c(ccc(c1)Cl)C=2c4c(c3c(CN=2)onc3C)cccc4
InChi:InChI=1S/C18H13ClN2O/c1-11-17-14-4-2-3-5-15(14)18(20-10-16(17)22-21-11)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
Definition date:2016-01-18
Last modified:2016-02-05
Release date:2016-02-10
Identifier:6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine
64A
64A
Name:{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}propanedioic acid
Formula:C13 H16 N2 O7
SMILES:C1(=O)C(C)=CN(C(N1)=O)C2CCC(OC(C(=O)O)C(=O)O)C2
InChi:InChI=1S/C13H16N2O7/c1-6-5-15(13(21)14-10(6)16)7-2-3-8(4-7)22-9(11(17)18)12(19)20/h5,7-9H,2-4H2,1H3,(H,17,18)(H,19,20)(H,14,16,21)/t7-,8+/m1/s1
Definition date:2016-01-24
Last modified:2016-02-05
Release date:2016-02-10
Identifier:{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}propanedioic acid
RSQ
RSQ
Name:5-formylcytidine 5'-(dihydrogen phosphate)
Formula:C10 H14 N3 O9 P
SMILES:P(O)(O)(OCC2C(C(C(N1C(N=C(N)C(C=O)=C1)=O)O2)O)O)=O
InChi:InChI=1S/C10H14N3O9P/c11-8-4(2-14)1-13(10(17)12-8)9-7(16)6(15)5(22-9)3-21-23(18,19)20/h1-2,5-7,9,15-16H,3H2,(H2,11,12,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
Definition date:2010-01-25
Last modified:2016-02-04
Identifier:5-formylcytidine 5'-(dihydrogen phosphate)
3UO
3UO
Name:2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
Formula:C16 H16 N4 O3
SMILES:O=C(Nc1nccc(c1)C(=O)Nc2c(OC)ccnc2)C3CC3
InChi:InChI=1S/C16H16N4O3/c1-23-13-5-6-17-9-12(13)19-16(22)11-4-7-18-14(8-11)20-15(21)10-2-3-10/h4-10H,2-3H2,1H3,(H,19,22)(H,18,20,21)
Definition date:2014-11-05
Last modified:2016-01-29
Release date:2016-02-03
Identifier:2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
3UP
3UP
Name:2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
Formula:C21 H18 N4 O2
SMILES:O=C(Nc1nccc(c1)C(=O)Nc3c(c2ccccc2)ccnc3)C4CC4
InChi:InChI=1S/C21H18N4O2/c26-20(15-6-7-15)25-19-12-16(8-11-23-19)21(27)24-18-13-22-10-9-17(18)14-4-2-1-3-5-14/h1-5,8-13,15H,6-7H2,(H,24,27)(H,23,25,26)
Definition date:2014-11-05
Last modified:2016-01-29
Release date:2016-02-03
Identifier:2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
S2O
S2O
Name:4-(2-hydroxyethyl)benzenesulfonamide
Formula:C8 H11 N O3 S
SMILES:O=S(=O)(N)c1ccc(cc1)CCO
InChi:InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)
Definition date:2015-03-24
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-(2-hydroxyethyl)benzenesulfonamide
44E
44E
Name:(2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
Formula:C15 H29 O8 P
SMILES:O=C(OC(COP(=O)(O)O)COC(=O)CCCCC)CCCCC
InChi:InChI=1S/C15H29O8P/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20)/t13-/m1/s1
Definition date:2015-02-03
Last modified:2016-01-29
Release date:2016-02-03
Identifier:(2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
44G
44G
Name:(2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
Formula:C18 H35 O10 P
SMILES:O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCC)CCCCC
InChi:InChI=1S/C18H35O10P/c1-3-5-7-9-17(21)25-13-16(28-18(22)10-8-6-4-2)14-27-29(23,24)26-12-15(20)11-19/h15-16,19-20H,3-14H2,1-2H3,(H,23,24)/t15-,16+/m1/s1
Definition date:2015-02-03
Last modified:2016-01-29
Release date:2016-02-03
Identifier:(2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
456
456
Name:N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
Formula:C13 H15 N5 O2 S
SMILES:O=C(Nc1nc3c(s1)CN(c2nc(OC)cnc2)CC3)C
InChi:InChI=1S/C13H15N5O2S/c1-8(19)15-13-16-9-3-4-18(7-10(9)21-13)11-5-14-6-12(17-11)20-2/h5-6H,3-4,7H2,1-2H3,(H,15,16,19)
Definition date:2015-02-06
Last modified:2016-01-29
Release date:2016-02-03
Identifier:N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
7Y6
7Y6
Name:4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Formula:C21 H24 Cl N3 O3
SMILES:Clc3cc(OC1CCNCC1)c(C(=O)NC(=[N@H])Cc2cccc(OC)c2)cc3
InChi:InChI=1S/C21H24ClN3O3/c1-27-17-4-2-3-14(11-17)12-20(23)25-21(26)18-6-5-15(22)13-19(18)28-16-7-9-24-10-8-16/h2-6,11,13,16,24H,7-10,12H2,1H3,(H2,23,25,26)
Definition date:2013-10-10
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-chloro-N-[(1E)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)benzamide
80O
80O
Name:N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide
Formula:C20 H24 N4 O3
SMILES:O=C(NC(=[N@H])Cc1cccc(OC)c1)c2c(nccc2)OC3CCNCC3
InChi:InChI=1S/C20H24N4O3/c1-26-16-5-2-4-14(12-16)13-18(21)24-19(25)17-6-3-9-23-20(17)27-15-7-10-22-11-8-15/h2-6,9,12,15,22H,7-8,10-11,13H2,1H3,(H2,21,24,25)
Definition date:2013-10-10
Last modified:2016-01-29
Release date:2016-02-03
Identifier:N-[(1Z)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)pyridine-3-carboxamide
841
841
Name:~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
Formula:C16 H24 N4 O
SMILES:O=C(NCC1CCN(CC1)c2ccccn2)N3CCCC3
InChi:InChI=1S/C16H24N4O/c21-16(20-9-3-4-10-20)18-13-14-6-11-19(12-7-14)15-5-1-2-8-17-15/h1-2,5,8,14H,3-4,6-7,9-13H2,(H,18,21)
Definition date:2015-11-26
Last modified:2016-01-29
Release date:2016-02-03
Identifier:~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
54X
54X
Name:5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one
Formula:C10 H6 N2 O S2
SMILES:O=C1N=CNc2scc(c12)c3cccs3
InChi:InChI=1S/C10H6N2OS2/c13-9-8-6(7-2-1-3-14-7)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)
Definition date:2015-07-24
Last modified:2016-01-29
Release date:2016-02-03
Identifier:5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one
55D
55D
Name:2-(butanoylamino)thiophene-3-carboxamide
Formula:C9 H12 N2 O2 S
SMILES:O=C(CCC)Nc1sccc1C(N)=O
InChi:InChI=1S/C9H12N2O2S/c1-2-3-7(12)11-9-6(8(10)13)4-5-14-9/h4-5H,2-3H2,1H3,(H2,10,13)(H,11,12)
Definition date:2015-07-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:2-(butanoylamino)thiophene-3-carboxamide
55G
55G
Name:4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Formula:C20 H13 N5 O S
SMILES:O=C1Nc5c(C(=C1)c2ccccc2)c(c3cnc(s3)c4cnccc4)nn5
InChi:InChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26)
Definition date:2015-07-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
55H
55H
Name:3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Formula:C14 H9 N5 O S
SMILES:O=C1Nc4c(C=C1)c(c3sc(c2cnccc2)nc3)nn4
InChi:InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20)
Definition date:2015-07-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
31A
31A
Name:N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Formula:C21 H25 N3 O3
SMILES:O=C(c2c(OC1CCNCC1)cccc2)NC(=[N@H])Cc3cccc(OC)c3
InChi:InChI=1S/C21H25N3O3/c1-26-17-6-4-5-15(13-17)14-20(22)24-21(25)18-7-2-3-8-19(18)27-16-9-11-23-12-10-16/h2-8,13,16,23H,9-12,14H2,1H3,(H2,22,24,25)
Definition date:2013-10-10
Last modified:2016-01-29
Release date:2016-02-03
Identifier:N-[(1E)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)benzamide
5T0
5T0
Name:3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one
Formula:C20 H31 N3 O
SMILES:CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3
InChi:InChI=1S/C20H31N3O/c1-21-16-18-4-7-19(8-5-18)22-14-10-17(11-15-22)6-9-20(24)23-12-2-3-13-23/h4-5,7-8,17,21H,2-3,6,9-16H2,1H3
Definition date:2015-11-25
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one
5T4
5T4
Name:~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
Formula:C15 H23 N5 O
SMILES:O=C(NCC1CCN(CC1)c2ncccn2)N3CCCC3
InChi:InChI=1S/C15H23N5O/c21-15(20-8-1-2-9-20)18-12-13-4-10-19(11-5-13)14-16-6-3-7-17-14/h3,6-7,13H,1-2,4-5,8-12H2,(H,18,21)
Definition date:2015-11-26
Last modified:2016-01-29
Release date:2016-02-03
Identifier:~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
5TB
5TB
Name:3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one
Formula:C20 H31 N3 O
SMILES:CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3
InChi:InChI=1S/C20H31N3O/c1-21-15-18-7-10-19(11-8-18)22-13-4-14-23(16-22)20(24)12-9-17-5-2-3-6-17/h7-8,10-11,17,21H,2-6,9,12-16H2,1H3
Definition date:2015-11-27
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one
5TC
5TC
Name:3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide
Formula:C27 H34 N4 O
SMILES:O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)NCc3ccc(cc3)N4CCCCC4
InChi:InChI=1S/C27H34N4O/c28-20-23-4-9-26(10-5-23)31-18-14-22(15-19-31)8-13-27(32)29-21-24-6-11-25(12-7-24)30-16-2-1-3-17-30/h4-7,9-12,22H,1-3,8,13-19,21H2,(H,29,32)
Definition date:2015-11-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide
5TD
5TD
Name:4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile
Formula:C19 H25 N3 O
SMILES:O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)N3CCCC3
InChi:InChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2
Definition date:2015-11-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile
5TE
5TE
Name:3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide
Formula:C19 H28 N2 O
SMILES:O=C(CCC1CCCC1)Nc2cccc(c2)N3CCCCC3
InChi:InChI=1S/C19H28N2O/c22-19(12-11-16-7-2-3-8-16)20-17-9-6-10-18(15-17)21-13-4-1-5-14-21/h6,9-10,15-16H,1-5,7-8,11-14H2,(H,20,22)
Definition date:2015-11-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide
5TG
5TG
Name:~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate
Formula:C25 H39 N3 O3
SMILES:CN(Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3)C(=O)OC(C)(C)C
InChi:InChI=1S/C25H39N3O3/c1-25(2,3)31-24(30)26(4)19-21-7-10-22(11-8-21)27-17-13-20(14-18-27)9-12-23(29)28-15-5-6-16-28/h7-8,10-11,20H,5-6,9,12-19H2,1-4H3
Definition date:2015-11-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate
5TO
5TO
Name:3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
Formula:C12 H21 N O
SMILES:O=C(CCC1CCCC1)N2CCCC2
InChi:InChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2
Definition date:2015-11-30
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one

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數據於2024-10-09公開中

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