General Information of the Compound
| Compound ID |
CP0568221
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| Compound Name |
N-[4-[7-chloro-5-(2-morpholin-4-ylethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
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| Structure |
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| Formula |
C32H37ClN4O3
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| Molecular Weight |
561.126
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCN3CCOCC3)c3cc(Cl)ccc23)c(C)c1
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| InChI |
InChI=1S/C32H37ClN4O3/c1-22-6-3-4-7-26(22)31(38)35-25-10-11-27(23(2)20-25)32(39)37-14-5-8-29(28-21-24(33)9-12-30(28)37)34-13-15-36-16-18-40-19-17-36/h3-4,6-7,9-12,20-21,29,34H,5,8,13-19H2,1-2H3,(H,35,38)
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| InChIKey |
UTQJPPAFCJPVEM-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