General Information of the Compound
| Compound ID |
CP0511984
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| Compound Name |
1-[7-chloro-4-[4-(2-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one
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| Formula |
C25H30ClN3O2
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| Molecular Weight |
439.987
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| Canonical SMILES |
CC(C)C(=O)N1CC(C(=O)N2CCN(CC2)c2ccccc2C)c2ccc(Cl)cc2C1
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| InChI |
InChI=1S/C25H30ClN3O2/c1-17(2)24(30)29-15-19-14-20(26)8-9-21(19)22(16-29)25(31)28-12-10-27(11-13-28)23-7-5-4-6-18(23)3/h4-9,14,17,22H,10-13,15-16H2,1-3H3
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| InChIKey |
IYOLTHBDMGBDJW-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