General Information of the Compound
| Compound ID |
CP0529716
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| Compound Name |
5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-8-methyl-3-(oxan-4-yl)-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C31H38N6O2
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| Molecular Weight |
526.685
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| Canonical SMILES |
Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(N=C2C1CCCCC1)C1CCOCC1
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| InChI |
InChI=1S/C31H38N6O2/c1-22-7-12-27-28(21-22)36(25-10-8-24(9-11-25)32-16-13-29-33-17-18-34-29)31(38)37(26-14-19-39-20-15-26)35-30(27)23-5-3-2-4-6-23/h7-12,17-18,21,23,26,32H,2-6,13-16,19-20H2,1H3,(H,33,34)
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| InChIKey |
RFTQXWJHIKOOPC-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