General Information of the Compound
| Compound ID |
CP0551177
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| Compound Name |
benzyl N-[3-[5-carbamoyl-2-(isoquinoline-1-carbonylamino)-7-methoxybenzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C30H28N6O5
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| Molecular Weight |
552.591
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| Canonical SMILES |
COc1cc(cc2nc(NC(=O)c3nccc4ccccc34)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
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| InChI |
InChI=1S/C30H28N6O5/c1-40-24-17-21(27(31)37)16-23-26(24)36(15-7-13-33-30(39)41-18-19-8-3-2-4-9-19)29(34-23)35-28(38)25-22-11-6-5-10-20(22)12-14-32-25/h2-6,8-12,14,16-17H,7,13,15,18H2,1H3,(H2,31,37)(H,33,39)(H,34,35,38)
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| InChIKey |
JZZACVPZCRWGPN-UHFFFAOYSA-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