General Information of the Compound
| Compound ID |
CP0487857
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| Compound Name |
N-[3-[4-[3-[[1-(4-chlorophenyl)benzimidazol-2-yl]amino]propyl]piperazin-1-yl]phenyl]acetamide
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| Structure |
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| Formula |
C28H31ClN6O
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| Molecular Weight |
503.05
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)N1CCN(CCCNc2nc3ccccc3n2-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C28H31ClN6O/c1-21(36)31-23-6-4-7-25(20-23)34-18-16-33(17-19-34)15-5-14-30-28-32-26-8-2-3-9-27(26)35(28)24-12-10-22(29)11-13-24/h2-4,6-13,20H,5,14-19H2,1H3,(H,30,32)(H,31,36)
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| InChIKey |
PBVBPXGSZSMYCO-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