General Information of the Compound
| Compound ID |
CP0569758
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| Compound Name |
N-[4-[7-chloro-5-[(3-morpholin-4-yl-3-oxopropyl)amino]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
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| Structure |
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| Formula |
C33H37ClN4O4
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| Molecular Weight |
589.136
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCC(=O)N3CCOCC3)c3cc(Cl)ccc23)c(C)c1
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| InChI |
InChI=1S/C33H37ClN4O4/c1-22-6-3-4-7-26(22)32(40)36-25-10-11-27(23(2)20-25)33(41)38-15-5-8-29(28-21-24(34)9-12-30(28)38)35-14-13-31(39)37-16-18-42-19-17-37/h3-4,6-7,9-12,20-21,29,35H,5,8,13-19H2,1-2H3,(H,36,40)
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| InChIKey |
CEPCBRWQBCKEPG-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