General Information of the Compound
| Compound ID |
CP0458728
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| Compound Name |
3-(benzimidazol-1-ylmethyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
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| Structure |
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| Formula |
C22H19N3
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| Molecular Weight |
325.415
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| Canonical SMILES |
C(c1ccc2Nc3ccccc3CCc2c1)n1cnc2ccccc12
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| InChI |
InChI=1S/C22H19N3/c1-2-6-19-17(5-1)10-11-18-13-16(9-12-20(18)24-19)14-25-15-23-21-7-3-4-8-22(21)25/h1-9,12-13,15,24H,10-11,14H2
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| InChIKey |
ITQWZIBFIONIHT-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