General Information of the Compound
| Compound ID |
CP0465567
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| Compound Name |
5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-8-methyl-3-propyl-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C29H36N6O
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| Molecular Weight |
484.648
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| Canonical SMILES |
CCCN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O
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| InChI |
InChI=1S/C29H36N6O/c1-3-19-34-29(36)35(24-12-10-23(11-13-24)30-16-15-27-31-17-18-32-27)26-20-21(2)9-14-25(26)28(33-34)22-7-5-4-6-8-22/h9-14,17-18,20,22,30H,3-8,15-16,19H2,1-2H3,(H,31,32)
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| InChIKey |
BJRZCCMXLZEJAB-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