General Information of the Compound
| Compound ID |
CP0571198
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| Compound Name |
3-[(E)-4-(4-benzhydrylpiperazin-1-yl)but-2-enyl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C28H30N4O
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| Molecular Weight |
438.575
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| Canonical SMILES |
O=c1[nH]c2ccccc2n1C\C=C\CN1CCN(CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H30N4O/c33-28-29-25-15-7-8-16-26(25)32(28)18-10-9-17-30-19-21-31(22-20-30)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-16,27H,17-22H2,(H,29,33)/b10-9+
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| InChIKey |
CODKRLIWKWBEBG-MDZDMXLPSA-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