General Information of the Compound
| Compound ID |
CP0455880
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| Compound Name |
benzyl N-[3-[5-carbamoyl-7-methoxy-2-[(1-methylindole-2-carbonyl)amino]benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C30H30N6O5
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| Molecular Weight |
554.607
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| Canonical SMILES |
COc1cc(cc2nc(NC(=O)c3cc4ccccc4n3C)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
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| InChI |
InChI=1S/C30H30N6O5/c1-35-23-12-7-6-11-20(23)16-24(35)28(38)34-29-33-22-15-21(27(31)37)17-25(40-2)26(22)36(29)14-8-13-32-30(39)41-18-19-9-4-3-5-10-19/h3-7,9-12,15-17H,8,13-14,18H2,1-2H3,(H2,31,37)(H,32,39)(H,33,34,38)
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| InChIKey |
JCMZLTFRQLZPKM-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