General Information of the Compound
| Compound ID |
CP0487855
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| Compound Name |
3-(1-(3-(1-(4-chlorophenyl)-1H-benzo[d]imidazol-2-ylamino)propyl)piperidin-4-yl)phenol
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| Structure |
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| Formula |
C27H29ClN4O
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| Molecular Weight |
461.009
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| Canonical SMILES |
Oc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C27H29ClN4O/c28-22-9-11-23(12-10-22)32-26-8-2-1-7-25(26)30-27(32)29-15-4-16-31-17-13-20(14-18-31)21-5-3-6-24(33)19-21/h1-3,5-12,19-20,33H,4,13-18H2,(H,29,30)
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| InChIKey |
RRDVHCJJKLEZDI-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