General Information of the Compound
| Compound ID |
CP0545024
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| Compound Name |
N-[4-[7-chloro-5-(4-morpholin-4-ylbutylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
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| Formula |
C34H41ClN4O3
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| Molecular Weight |
589.18
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCN3CCOCC3)c3cc(Cl)ccc23)c(C)c1
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| InChI |
InChI=1S/C34H41ClN4O3/c1-24-8-3-4-9-28(24)33(40)37-27-12-13-29(25(2)22-27)34(41)39-17-7-10-31(30-23-26(35)11-14-32(30)39)36-15-5-6-16-38-18-20-42-21-19-38/h3-4,8-9,11-14,22-23,31,36H,5-7,10,15-21H2,1-2H3,(H,37,40)
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| InChIKey |
QMQOEKXPXXVABE-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