General Information of the Compound
| Compound ID |
CP0439763
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| Compound Name |
5-cyclohexyl-1-[4-[3-(1H-imidazol-2-yl)propylamino]phenyl]-3,8-dimethyl-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C28H34N6O
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| Molecular Weight |
470.621
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| Canonical SMILES |
CN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCCc3ncc[nH]3)cc2)C1=O
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| InChI |
InChI=1S/C28H34N6O/c1-20-10-15-24-25(19-20)34(28(35)33(2)32-27(24)21-7-4-3-5-8-21)23-13-11-22(12-14-23)29-16-6-9-26-30-17-18-31-26/h10-15,17-19,21,29H,3-9,16H2,1-2H3,(H,30,31)
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| InChIKey |
OBNYBKBYBUWFOQ-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