General Information of the Compound
| Compound ID |
CP0574244
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| Compound Name |
1-[(E)-4-[7-(3-aminopropoxy)-5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C38H45N13O6
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| Molecular Weight |
779.863
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCN)c12)C(N)=O)C(N)=O
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| InChI |
InChI=1S/C38H45N13O6/c1-6-50-27(15-21(3)46-50)35(54)44-37-42-25-17-23(33(40)52)19-29(56-5)31(25)48(37)12-8-9-13-49-32-26(18-24(34(41)53)20-30(32)57-14-10-11-39)43-38(49)45-36(55)28-16-22(4)47-51(28)7-2/h8-9,15-20H,6-7,10-14,39H2,1-5H3,(H2,40,52)(H2,41,53)(H,42,44,54)(H,43,45,55)/b9-8+
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| InChIKey |
GHYYYXLQUGJICH-CMDGGOBGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound