General Information of the Compound
| Compound ID |
CP0186118
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| Compound Name |
1-(3-amino-3-oxopropyl)-2-[(4-bromobenzoyl)amino]-N-cyclohexyl-N-prop-2-enylbenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C27H30BrN5O3
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| Molecular Weight |
552.473
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| Canonical SMILES |
NC(=O)CCn1c(NC(=O)c2ccc(Br)cc2)nc2cc(ccc12)C(=O)N(CC=C)C1CCCCC1
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| InChI |
InChI=1S/C27H30BrN5O3/c1-2-15-32(21-6-4-3-5-7-21)26(36)19-10-13-23-22(17-19)30-27(33(23)16-14-24(29)34)31-25(35)18-8-11-20(28)12-9-18/h2,8-13,17,21H,1,3-7,14-16H2,(H2,29,34)(H,30,31,35)
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| InChIKey |
GFSUPLWNXMKMDH-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