General Information of the Compound
| Compound ID |
CP0546885
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| Compound Name |
[7-chloro-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-cyclopentylmethanone
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| Formula |
C27H32ClN3O2
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| Molecular Weight |
466.025
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)C1CN(Cc2cc(Cl)ccc12)C(=O)C1CCCC1
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| InChI |
InChI=1S/C27H32ClN3O2/c1-19-6-2-5-9-25(19)29-12-14-30(15-13-29)27(33)24-18-31(26(32)20-7-3-4-8-20)17-21-16-22(28)10-11-23(21)24/h2,5-6,9-11,16,20,24H,3-4,7-8,12-15,17-18H2,1H3
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| InChIKey |
DBZPBWCAJVQAET-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