General Information of the Compound
| Compound ID |
CP0848745
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| Compound Name |
(S)-1-(1-amino-5-guanidino-1-oxopentan-2-yl)-N-(4-methoxyphenyl)-2-(3-phenoxyphenyl)-1H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C33H33N7O4
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| Molecular Weight |
591.672
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(Oc4ccccc4)c2)n3[C@@H](CCCNC(=N)N)C(N)=O)cc1
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| InChI |
InChI=1S/C33H33N7O4/c1-43-24-15-13-23(14-16-24)38-32(42)22-12-17-28-27(20-22)39-31(40(28)29(30(34)41)11-6-18-37-33(35)36)21-7-5-10-26(19-21)44-25-8-3-2-4-9-25/h2-5,7-10,12-17,19-20,29H,6,11,18H2,1H3,(H2,34,41)(H,38,42)(H4,35,36,37)/t29-/m0/s1
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| InChIKey |
VYMPYDJQKTVXPX-LJAQVGFWSA-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