General Information of the Compound
| Compound ID |
CP0417240
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| Compound Name |
8-chloro-5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-3-propan-2-yl-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C27H32ClN5O
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| Molecular Weight |
478.04
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| Canonical SMILES |
CC(C)N1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(CC3=NCCN3)cc2)C1=O
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| InChI |
InChI=1S/C27H32ClN5O/c1-18(2)33-27(34)32(22-11-8-19(9-12-22)16-25-29-14-15-30-25)24-17-21(28)10-13-23(24)26(31-33)20-6-4-3-5-7-20/h8-13,17-18,20H,3-7,14-16H2,1-2H3,(H,29,30)
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| InChIKey |
NPYKQNWNSLWPBX-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