General Information of the Compound
| Compound ID |
CP0511985
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| Compound Name |
[7-chloro-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-cyclopropylmethanone
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| Formula |
C25H28ClN3O2
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| Molecular Weight |
437.971
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)C1CN(Cc2cc(Cl)ccc12)C(=O)C1CC1
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| InChI |
InChI=1S/C25H28ClN3O2/c1-17-4-2-3-5-23(17)27-10-12-28(13-11-27)25(31)22-16-29(24(30)18-6-7-18)15-19-14-20(26)8-9-21(19)22/h2-5,8-9,14,18,22H,6-7,10-13,15-16H2,1H3
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| InChIKey |
RLJGVIHFYZJDOY-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