General Information of the Compound
| Compound ID |
CP0577395
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| Compound Name |
N-[4-[7-chloro-5-(3-pyridin-4-ylpropylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
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| Formula |
C34H35ClN4O2
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| Molecular Weight |
567.133
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCc3ccncc3)c3cc(Cl)ccc23)c(C)c1
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| InChI |
InChI=1S/C34H35ClN4O2/c1-23-7-3-4-9-28(23)33(40)38-27-12-13-29(24(2)21-27)34(41)39-20-6-10-31(30-22-26(35)11-14-32(30)39)37-17-5-8-25-15-18-36-19-16-25/h3-4,7,9,11-16,18-19,21-22,31,37H,5-6,8,10,17,20H2,1-2H3,(H,38,40)
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| InChIKey |
RTIPJBQMXIZTTD-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