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Z0I
Z0I
Name:N-(1H-indol-7-yl)acetamide
Formula:C10 H10 N2 O
SMILES:CC(=O)Nc1cccc2cc[NH]c12
InChi:InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13)
Definition date:2023-06-22
Last modified:2023-07-07
Release date:2023-07-12
Identifier:N-(1H-indol-7-yl)acetamide
Z1L
Z1L
Name:1-anilinocyclopropane-1-carboxylic acid
Formula:C10 H11 N O2
SMILES:O=C(O)C1(Nc2ccccc2)CC1
InChi:InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
Definition date:2023-06-22
Last modified:2023-07-07
Release date:2023-07-12
Identifier:1-anilinocyclopropane-1-carboxylic acid
OIT
OIT
Name:~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
Formula:C20 H21 Cl2 N3 O2
SMILES:NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
InChi:InChI=1S/C20H21Cl2N3O2/c21-15-9-14(10-16(22)12-15)20-25-17-6-5-13(11-18(17)27-20)19(26)24-8-4-2-1-3-7-23/h5-6,9-12H,1-4,7-8,23H2,(H,24,26)
Synonyms:Tafamidis derivative
Definition date:2022-09-08
Last modified:2023-07-07
Release date:2023-07-12
Identifier:~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
Z2F
Z2F
Name:1,3-benzothiazole-6-sulfonamide
Formula:C7 H6 N2 O2 S2
SMILES:NS(=O)(=O)c1ccc2ncsc2c1
InChi:InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11)
Definition date:2023-06-22
Last modified:2023-07-07
Release date:2023-07-12
Identifier:1,3-benzothiazole-6-sulfonamide
OJF
OJF
Name:[(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
Formula:C73 H131 N7 O12 S
SMILES:CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[CH](CO)C(=O)N[CH](CO)C(=O)N[CH](CCCCNC(=O)c1ccccc1N)C(N)=O
InChi:InChI=1S/C73H131N7O12S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-50-66(83)77-65(73(90)80-64(55-82)72(89)79-63(54-81)71(88)78-62(69(75)86)49-45-46-53-76-70(87)60-47-43-44-48-61(60)74)58-93-57-59(92-68(85)52-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-91-67(84)51-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h43-44,47-48,59,62-65,81-82H,4-42,45-46,49-58,74H2,1-3H3,(H2,75,86)(H,76,87)(H,77,83)(H,78,88)(H,79,89)(H,80,90)/t59-,62-,63-,64-,65+/m1/s1
Definition date:2022-09-09
Last modified:2023-07-07
Release date:2023-07-12
Identifier:[(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
Z3H
Z3H
Name:N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide
Formula:C10 H13 N O3 S
SMILES:CS(=O)(=O)NC1CCOc2ccccc21
InChi:InChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1
Definition date:2023-06-22
Last modified:2023-07-07
Release date:2023-07-12
Identifier:N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide
Z3O
Z3O
Name:(3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole
Formula:C15 H18 N2
SMILES:CC1C=CN(CC2C=Nc3ccccc23)CC1
InChi:InChI=1S/C15H18N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-6,8,10,12-13H,7,9,11H2,1H3/t12-,13+/m0/s1
Definition date:2023-06-22
Last modified:2023-07-07
Release date:2023-07-12
Identifier:(3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole
Z4X
Z4X
Name:2-ethoxy-3-fluoro-N,N-dimethylbenzamide
Formula:C11 H14 F N O2
SMILES:CCOc1c(cccc1F)C(=O)N(C)C
InChi:InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3
Definition date:2023-06-22
Last modified:2023-07-07
Release date:2023-07-12
Identifier:2-ethoxy-3-fluoro-N,N-dimethylbenzamide
Z5C
Z5C
Name:5-(methoxymethyl)-1,2-oxazole-3-carboxamide
Formula:C6 H8 N2 O3
SMILES:O=C(N)c1cc(COC)on1
InChi:InChI=1S/C6H8N2O3/c1-10-3-4-2-5(6(7)9)8-11-4/h2H,3H2,1H3,(H2,7,9)
Definition date:2023-06-22
Last modified:2023-07-07
Release date:2023-07-12
Identifier:5-(methoxymethyl)-1,2-oxazole-3-carboxamide
Z5Z
Z5Z
Name:(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
Formula:C9 H15 N3 O S
SMILES:Cc1nc(sn1)N1CC(C)OC(C)C1
InChi:InChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+
Definition date:2023-06-22
Last modified:2023-07-07
Release date:2023-07-12
Identifier:(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
Z6I
Z6I
Name:4-(5-methyl-1H-pyrazol-4-yl)piperidine
Formula:C9 H15 N3
SMILES:Cc1[NH]ncc1C1CCNCC1
InChi:InChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12)
Definition date:2023-06-23
Last modified:2023-07-07
Release date:2023-07-12
Identifier:4-(5-methyl-1H-pyrazol-4-yl)piperidine
VUO
VUO
Name:6-oxidanyl-1,3-benzoxathiol-2-one
Formula:C7 H4 O3 S
SMILES:Oc1ccc2SC(=O)Oc2c1
InChi:InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H
Definition date:2023-04-05
Last modified:2023-07-07
Release date:2023-07-12
Identifier:6-oxidanyl-1,3-benzoxathiol-2-one
XY6
XY6
Name:2,3-di-O-sulfo-beta-D-xylopyranose
Formula:C5 H10 O11 S2
SMILES:OC1OCC(O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:InChI=1S/C5H10O11S2/c6-2-1-14-5(7)4(16-18(11,12)13)3(2)15-17(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)/t2-,3+,4-,5-/m1/s1
Definition date:2022-08-09
Last modified:2023-07-07
Release date:2023-07-12
Identifier:2,3-di-O-sulfo-beta-D-xylopyranose
Z7T
Z7T
Name:2-(cyclopentylamino)pyridine-4-carboxamide
Formula:C11 H15 N3 O
SMILES:NC(=O)c1ccnc(NC2CCCC2)c1
InChi:InChI=1S/C11H15N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)
Definition date:2023-06-23
Last modified:2023-07-07
Release date:2023-07-12
Identifier:2-(cyclopentylamino)pyridine-4-carboxamide
ZRR
ZRR
Name:(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol
Formula:C22 H28 N10 O
SMILES:CC(C)n1nc(nn1)c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c32)c1
InChi:InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)16-9-18(11-19(33)10-16)26-22-20-15(3-8-31(20)25-13-24-22)12-30-6-4-17(23)5-7-30/h3,8-11,13-14,17,33H,4-7,12,23H2,1-2H3,(H,24,25,26)
Definition date:2023-03-27
Last modified:2023-07-07
Release date:2023-07-12
Identifier:(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol
Z9I
Z9I
Name:1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine
Formula:C6 H14 N2 O2 S
SMILES:NCC1CCCN1S(=O)(C)=O
InChi:InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m1/s1
Definition date:2023-06-23
Last modified:2023-07-07
Release date:2023-07-12
Identifier:1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine
O7O
O7O
Name:2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid
Formula:C16 H16 Cl N3 O2 S
SMILES:OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1
InChi:InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20)
Definition date:2022-08-30
Last modified:2023-07-07
Release date:2023-07-12
Identifier:2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid
ZA9
ZA9
Name:4-[(3S)-piperidin-3-yl]-1H-indole
Formula:C13 H16 N2
SMILES:c1c[NH]c2cccc(c12)C1CCCNC1
InChi:InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1
Definition date:2023-06-23
Last modified:2023-07-07
Release date:2023-07-12
Identifier:4-[(3S)-piperidin-3-yl]-1H-indole
O86
O86
Name:2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid
Formula:C20 H18 Cl N3 O3 S
SMILES:OC(=O)CSc1nc(Cl)cc(Nc2cccc(OCCc3ccccc3)c2)n1
InChi:InChI=1S/C20H18ClN3O3S/c21-17-12-18(24-20(23-17)28-13-19(25)26)22-15-7-4-8-16(11-15)27-10-9-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,25,26)(H,22,23,24)
Definition date:2022-08-30
Last modified:2023-07-07
Release date:2023-07-12
Identifier:2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid
ZT7
ZT7
Name:1-(5-amino-2H-isoindol-2-yl)ethan-1-one
Formula:C10 H10 N2 O
SMILES:CC(=O)n1cc2ccc(N)cc2c1
InChi:InChI=1S/C10H10N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-6H,11H2,1H3
Definition date:2023-07-03
Last modified:2023-07-07
Release date:2023-07-12
Identifier:1-(5-amino-2H-isoindol-2-yl)ethan-1-one
ZBH
ZBH
Name:(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
Formula:C10 H14 N2 O S
SMILES:CNC(=O)C1CCCc2sc(C)nc21
InChi:InChI=1S/C10H14N2OS/c1-6-12-9-7(10(13)11-2)4-3-5-8(9)14-6/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m0/s1
Definition date:2023-06-23
Last modified:2023-07-07
Release date:2023-07-12
Identifier:(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
ZC9
ZC9
Name:(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine
Formula:C8 H6 F N3
SMILES:Fc1cnc(cc1)c1ccn[NH]1
InChi:InChI=1S/C8H6FN3/c9-6-1-2-7(10-5-6)8-3-4-11-12-8/h1-5H,(H,11,12)
Definition date:2023-06-23
Last modified:2023-07-07
Release date:2023-07-12
Identifier:(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine
ZGI
ZGI
Name:(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:C33 H46 N6 O5 S
SMILES:CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C
InChi:InChI=1S/C33H46N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-23,25H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,25+/m0/s1
Definition date:2023-03-09
Last modified:2023-07-07
Release date:2023-07-12
Identifier:(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
ZGK
ZGK
Name:N-(2-methoxyphenyl)acetamide
Formula:C9 H11 N O2
SMILES:COc1ccccc1NC(C)=O
InChi:InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)
Definition date:2023-06-23
Last modified:2023-07-07
Release date:2023-07-12
Identifier:N-(2-methoxyphenyl)acetamide
ZGO
ZGO
Name:(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:C33 H54 N6 O6 S
SMILES:CC1(C)C2C(C(=O)NC(C#N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C
InChi:InChI=1S/C33H54N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h20-25H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/t20-,21-,22-,23-,24-,25+/m0/s1
Definition date:2023-03-09
Last modified:2023-07-07
Release date:2023-07-12
Identifier:(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

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数据于2025-10-22公开中

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