General Information of the Compound
| Compound ID |
CP0465569
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| Compound Name |
3-benzyl-5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C30H32N6O
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| Molecular Weight |
492.627
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| Canonical SMILES |
O=C1N(Cc2ccccc2)N=C(C2CCCCC2)c2ccccc2N1c1ccc(NC2=NCCN2)cc1
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| InChI |
InChI=1S/C30H32N6O/c37-30-35(21-22-9-3-1-4-10-22)34-28(23-11-5-2-6-12-23)26-13-7-8-14-27(26)36(30)25-17-15-24(16-18-25)33-29-31-19-20-32-29/h1,3-4,7-10,13-18,23H,2,5-6,11-12,19-21H2,(H2,31,32,33)
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| InChIKey |
ZESGVVRMPMUYDX-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