General Information of the Compound
| Compound ID |
CP0457965
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| Compound Name |
3-benzyl-5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-8-methyl-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C31H34N6O
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| Molecular Weight |
506.654
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| Canonical SMILES |
Cc1ccc2c(c1)N(c1ccc(NC3=NCCN3)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1
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| InChI |
InChI=1S/C31H34N6O/c1-22-12-17-27-28(20-22)37(26-15-13-25(14-16-26)34-30-32-18-19-33-30)31(38)36(21-23-8-4-2-5-9-23)35-29(27)24-10-6-3-7-11-24/h2,4-5,8-9,12-17,20,24H,3,6-7,10-11,18-19,21H2,1H3,(H2,32,33,34)
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| InChIKey |
AEMYRYZUVIOIJG-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