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UWY
UWY
表記:N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
組成式:C11 H17 N3 O
SMILES:N(c1cnn(c1)CC)C(=O)C2CCCC2
InChi:InChI=1S/C11H17N3O/c1-2-14-8-10(7-12-14)13-11(15)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,15)
定義日:2020-06-03
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
UX1
UX1
表記:1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
組成式:C12 H14 F N O
SMILES:c1(c(cccc1)F)CC2(CC2)C(NC)=O
InChi:InChI=1S/C12H14FNO/c1-14-11(15)12(6-7-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15)
定義日:2020-06-03
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
U5A
U5A
表記:[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
組成式:C10 H17 N7 O2
SMILES:NC(=O)OCC2C1C3(N/C(N1)=N)N(/C(N2)=N)CCC3
InChi:InChI=1S/C10H17N7O2/c11-7-15-6-5(4-19-9(13)18)14-8(12)17-3-1-2-10(6,17)16-7/h5-6H,1-4H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t5-,6-,10+/m0/s1
定義日:2020-04-23
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
UX7
UX7
表記:N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
組成式:C12 H12 N2 O2 S
SMILES:N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3
InChi:InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
定義日:2020-06-03
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
UXA
UXA
表記:~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
組成式:C11 H11 N O3
SMILES:c1(cc2c(cc1)OCO2)C(NC3CC3)=O
InChi:InChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13)
定義日:2020-06-03
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:N-cyclopropyl-2H-1,3-benzodioxole-5-carboxamide
UXD
UXD
表記:(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
組成式:C8 H11 N3 O
SMILES:n1cc(cn1)C(N2CCCC2)=O
InChi:InChI=1S/C8H11N3O/c12-8(7-5-9-10-6-7)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10)
定義日:2020-06-03
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
UXG
UXG
表記:1-(diphenylmethyl)azetidin-3-ol
組成式:C16 H17 N O
SMILES:c1(ccccc1)C(c2ccccc2)N3CC(C3)O
InChi:InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
定義日:2020-06-03
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:1-(diphenylmethyl)azetidin-3-ol
UXJ
UXJ
表記:2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
組成式:C11 H12 F N3
SMILES:n2cc(CNc1ccccc1F)c(n2)C
InChi:InChI=1S/C11H12FN3/c1-8-9(7-14-15-8)6-13-11-5-3-2-4-10(11)12/h2-5,7,13H,6H2,1H3,(H,14,15)
定義日:2020-06-03
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
Z7F
Z7F
表記:trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
組成式:C33 H32 Cl F2 N O6 S
SMILES:c2(OCc1c(cccc1F)Cl)cc3c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O)O)S(c6ccc(cc6)F)(=O)=O
InChi:InChI=1S/C33H32ClF2NO6S/c34-28-2-1-3-29(36)26(28)19-43-24-11-14-27-22(18-24)8-15-30-33(27,44(41,42)25-12-9-23(35)10-13-25)16-17-37(30)31(38)20-4-6-21(7-5-20)32(39)40/h1-3,9-14,18,20-21,30H,4-8,15-17,19H2,(H,39,40)/t20-,21-,30-,33-/m1/s1
定義日:2020-06-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
K48
K48
表記:5-azanyl-4-phenyl-thiophene-2-carboximidamide
組成式:C11 H11 N3 S
SMILES:NC(=N)c1sc(N)c(c1)c2ccccc2
InChi:InChI=1S/C11H11N3S/c12-10(13)9-6-8(11(14)15-9)7-4-2-1-3-5-7/h1-6H,14H2,(H3,12,13)
定義日:2019-04-19
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-azanyl-4-phenyl-thiophene-2-carboximidamide
K5Z
K5Z
表記:5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide
組成式:C14 H17 N3 S
SMILES:NCCCc1sc(cc1c2ccccc2)C(N)=N
InChi:InChI=1S/C14H17N3S/c15-8-4-7-12-11(9-13(18-12)14(16)17)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,15H2,(H3,16,17)
定義日:2019-04-29
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide
K65
K65
表記:~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide
組成式:C14 H13 N3 O S
SMILES:NC(=N)c1scc(c1)c2ccccc2NC(=O)C=C
InChi:InChI=1S/C14H13N3OS/c1-2-13(18)17-11-6-4-3-5-10(11)9-7-12(14(15)16)19-8-9/h2-8H,1H2,(H3,15,16)(H,17,18)
定義日:2019-04-29
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide
K6B
K6B
表記:7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide
組成式:C14 H12 N4 S
SMILES:NC(=N)c1sc2c(cccc2c3cccc(N)n3)c1
InChi:InChI=1S/C14H12N4S/c15-12-6-2-5-10(18-12)9-4-1-3-8-7-11(14(16)17)19-13(8)9/h1-7H,(H2,15,18)(H3,16,17)
定義日:2019-04-30
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide
K6N
K6N
表記:7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide
組成式:C13 H13 N5 S
SMILES:Cc1cn(nc1N)c2cccc3cc(sc23)C(N)=N
InChi:InChI=1S/C13H13N5S/c1-7-6-18(17-13(7)16)9-4-2-3-8-5-10(12(14)15)19-11(8)9/h2-6H,1H3,(H3,14,15)(H2,16,17)
定義日:2019-04-30
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide
K6T
K6T
表記:5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide
組成式:C17 H16 N4 S
SMILES:NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3
InChi:InChI=1S/C17H16N4S/c18-12-7-4-8-13(9-12)21-17-14(10-15(22-17)16(19)20)11-5-2-1-3-6-11/h1-10,21H,18H2,(H3,19,20)
定義日:2019-04-30
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide
K6W
K6W
表記:4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide
組成式:C18 H16 N2 S
SMILES:NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3
InChi:InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20)
定義日:2019-04-30
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide
K6Z
K6Z
表記:4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide
組成式:C17 H15 N3 S
SMILES:NC(=N)c1sc(Nc2ccccc2)c(c1)c3ccccc3
InChi:InChI=1S/C17H15N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1-11,20H,(H3,18,19)
定義日:2019-04-30
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide
K7N
K7N
表記:5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
組成式:C16 H17 N5 S
SMILES:NCCn1cnc(c1)c2sc(cc2c3ccccc3)C(N)=N
InChi:InChI=1S/C16H17N5S/c17-6-7-21-9-13(20-10-21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)
定義日:2019-05-01
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
K7Q
K7Q
表記:~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide
組成式:C13 H16 N4 O2 S
SMILES:COc1ccc(C(=O)NCCN)c2cc(sc12)C(N)=N
InChi:InChI=1S/C13H16N4O2S/c1-19-9-3-2-7(13(18)17-5-4-14)8-6-10(12(15)16)20-11(8)9/h2-3,6H,4-5,14H2,1H3,(H3,15,16)(H,17,18)
定義日:2019-05-01
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide
K8W
K8W
表記:7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide
組成式:C15 H14 N4 S
SMILES:Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N
InChi:InChI=1S/C15H14N4S/c1-8-5-6-11(19-15(8)18)10-4-2-3-9-7-12(14(16)17)20-13(9)10/h2-7H,1H3,(H3,16,17)(H2,18,19)
定義日:2019-05-06
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide
K92
K92
表記:5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
組成式:C16 H17 N5 S
SMILES:NCCn1cncc1c2sc(cc2c3ccccc3)C(N)=N
InChi:InChI=1S/C16H17N5S/c17-6-7-21-10-20-9-13(21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19)
定義日:2019-05-06
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide
KDK
KDK
表記:4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
組成式:C17 H21 N3 S
SMILES:NC(=N)c1sc(CC2CCNCC2)c(c1)c3ccccc3
InChi:InChI=1S/C17H21N3S/c18-17(19)16-11-14(13-4-2-1-3-5-13)15(21-16)10-12-6-8-20-9-7-12/h1-5,11-12,20H,6-10H2,(H3,18,19)
定義日:2019-05-14
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
KLB
KLB
表記:5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
組成式:C14 H12 N4 S
SMILES:NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3
InChi:InChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18)
定義日:2019-06-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
KLE
KLE
表記:5-phenylthiophene-2-carboximidamide
組成式:C11 H10 N2 S
SMILES:NC(=N)c1sc(cc1)c2ccccc2
InChi:InChI=1S/C11H10N2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H3,12,13)
定義日:2019-06-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:5-phenylthiophene-2-carboximidamide
KM2
KM2
表記:7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
組成式:C12 H16 N4 S
SMILES:C[CH](CN)Nc1cccc2cc(sc12)C(N)=N
InChi:InChI=1S/C12H16N4S/c1-7(6-13)16-9-4-2-3-8-5-10(12(14)15)17-11(8)9/h2-5,7,16H,6,13H2,1H3,(H3,14,15)/t7-/m0/s1
定義日:2019-06-07
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide

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