General Information of the Compound
| Compound ID |
CP0228540
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| Compound Name |
N-[4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-(2-methylphenoxy)acetamide
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| Structure |
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| Formula |
C27H27ClN2O3
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| Molecular Weight |
462.977
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| Canonical SMILES |
Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(C)c1
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| InChI |
InChI=1S/C27H27ClN2O3/c1-18-7-3-4-9-25(18)33-17-26(31)29-22-11-12-23(19(2)15-22)27(32)30-14-6-5-8-20-16-21(28)10-13-24(20)30/h3-4,7,9-13,15-16H,5-6,8,14,17H2,1-2H3,(H,29,31)
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| InChIKey |
XCKIZAMEEBGGQB-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