General Information of the Compound
| Compound ID |
CP0387060
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| Compound Name |
benzyl N-[3-[5-carbamoyl-7-methoxy-2-(3-phenylpropanoylamino)benzimidazol-1-yl]propyl]carbamate
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| Structure |
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| Formula |
C29H31N5O5
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| Molecular Weight |
529.597
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| Canonical SMILES |
COc1cc(cc2nc(NC(=O)CCc3ccccc3)n(CCCNC(=O)OCc3ccccc3)c12)C(N)=O
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| InChI |
InChI=1S/C29H31N5O5/c1-38-24-18-22(27(30)36)17-23-26(24)34(16-8-15-31-29(37)39-19-21-11-6-3-7-12-21)28(32-23)33-25(35)14-13-20-9-4-2-5-10-20/h2-7,9-12,17-18H,8,13-16,19H2,1H3,(H2,30,36)(H,31,37)(H,32,33,35)
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| InChIKey |
GTGCFOWJEFQJPU-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