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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
L1T
L1T
表記:4-methyl-5-phenyl-thiophene-2-carboximidamide
組成式:C12 H12 N2 S
SMILES:Cc1cc(sc1c2ccccc2)C(N)=N
InChi:InChI=1S/C12H12N2S/c1-8-7-10(12(13)14)15-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)
定義日:2019-07-15
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-methyl-5-phenyl-thiophene-2-carboximidamide
X33
X33
表記:Carborane inhibitor
組成式:C5 H8 B10 N O2 S
SMILES:N[S](=O)(=O)CCC[C++]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C+]3%15%18[B]47%14%16
InChi:InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-4-6(5)8(4)9(4)7(4,5)11(5)10(5,6)12(6,8)14(8,9)13(7,9,11)15(10,11,12)14/h1-3H2,(H2,16,17,18)/q+3
定義日:2019-10-23
最終更新日:2020-06-12
公開日:2020-06-17
LCQ
LCQ
表記:2-phenylazanyl-9~{H}-purine-6-carbonitrile
組成式:C12 H8 N6
SMILES:N#Cc1nc(Nc2ccccc2)nc3[nH]cnc13
InChi:InChI=1S/C12H8N6/c13-6-9-10-11(15-7-14-10)18-12(17-9)16-8-4-2-1-3-5-8/h1-5,7H,(H2,14,15,16,17,18)
定義日:2019-08-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:2-phenylazanyl-9~{H}-purine-6-carbonitrile
LCW
LCW
表記:2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
組成式:C15 H14 N6 O
SMILES:NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1
InChi:InChI=1S/C15H14N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-9(4-6-10)7-12(16)22/h2-6,8H,1,7H2,(H2,16,22)(H2,17,18,19,20,21)
定義日:2019-08-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
LD5
LD5
表記:4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
組成式:C13 H12 N6 O2 S
SMILES:N[S](=O)(=O)c1ccc(Nc2nc(C=C)c3[nH]cnc3n2)cc1
InChi:InChI=1S/C13H12N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h2-7H,1H2,(H2,14,20,21)(H2,15,16,17,18,19)
定義日:2019-08-05
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
JT2
JT2
表記:4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
組成式:C13 H18 N4 S2
SMILES:C[CH](CN)Nc1cc(CS)cc2sc(cc12)C(N)=N
InChi:InChI=1S/C13H18N4S2/c1-7(5-14)17-10-2-8(6-18)3-11-9(10)4-12(19-11)13(15)16/h2-4,7,17-18H,5-6,14H2,1H3,(H3,15,16)/t7-/m0/s1
定義日:2019-03-26
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
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
D43
D43
表記:~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
組成式:C19 H26 N2 O3
SMILES:CC(C)[CH]1N(CC[C]12C(=O)Nc3ccccc23)C(=O)OC(C)(C)C
InChi:InChI=1S/C19H26N2O3/c1-12(2)15-19(10-11-21(15)17(23)24-18(3,4)5)13-8-6-7-9-14(13)20-16(19)22/h6-9,12,15H,10-11H2,1-5H3,(H,20,22)/t15-,19-/m0/s1
定義日:2019-06-21
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
EGF
EGF
表記:~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
組成式:C33 H41 N5 O8
SMILES:CC(C)[CH](NC(=O)c1cc(C)on1)C(=O)N[CH]2[CH](OCCC=CCOC(=O)C=C[CH](C[CH]3CCNC3=O)NC2=O)c4ccccc4
InChi:InChI=1S/C33H41N5O8/c1-20(2)27(36-31(41)25-18-21(3)46-38-25)32(42)37-28-29(22-10-6-4-7-11-22)45-17-9-5-8-16-44-26(39)13-12-24(35-33(28)43)19-23-14-15-34-30(23)40/h4-8,10-13,18,20,23-24,27-29H,9,14-17,19H2,1-3H3,(H,34,40)(H,35,43)(H,36,41)(H,37,42)/b8-5+,13-12-/t23-,24+,27-,28-,29-/m0/s1
定義日:2019-12-20
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
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
KLZ
KLZ
表記:4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
組成式:C10 H9 Cl N2 S2
SMILES:NC(=N)c1sc2cc(CS)cc(Cl)c2c1
InChi:InChI=1S/C10H9ClN2S2/c11-7-1-5(4-14)2-8-6(7)3-9(15-8)10(12)13/h1-3,14H,4H2,(H3,12,13)
定義日:2019-06-06
最終更新日:2020-06-12
公開日:2020-06-17
識別子（ID）:4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide

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