General Information of the Compound
| Compound ID |
CP0503494
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| Compound Name |
1-(4-[3-Phenylureidomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C26H27N3O2
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| Molecular Weight |
413.521
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)Nc1ccccc1)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C26H27N3O2/c1-19-17-21(25(30)29-16-8-7-10-20-9-5-6-13-24(20)29)14-15-22(19)18-27-26(31)28-23-11-3-2-4-12-23/h2-6,9,11-15,17H,7-8,10,16,18H2,1H3,(H2,27,28,31)
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| InChIKey |
QNWVZIVFJXMAAY-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