General Information of the Compound
| Compound ID |
CP0570408
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| Compound Name |
N-[4-[7-chloro-5-[3-(4-methylpiperazin-1-yl)propylamino]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
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| Formula |
C34H42ClN5O2
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| Molecular Weight |
588.196
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| Canonical SMILES |
CN1CCN(CCCNC2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4C)cc3C)c3ccc(Cl)cc23)CC1
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| InChI |
InChI=1S/C34H42ClN5O2/c1-24-8-4-5-9-28(24)33(41)37-27-12-13-29(25(2)22-27)34(42)40-17-6-10-31(30-23-26(35)11-14-32(30)40)36-15-7-16-39-20-18-38(3)19-21-39/h4-5,8-9,11-14,22-23,31,36H,6-7,10,15-21H2,1-3H3,(H,37,41)
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| InChIKey |
UJCAELQBXPGPSA-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