General Information of the Compound
| Compound ID |
CP0373135
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| Compound Name |
3-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]butyl]-3-ethyl-1H-indol-2-one
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| Structure |
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| Formula |
C25H32ClN3O
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| Molecular Weight |
426.004
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2ccc(C)c(Cl)c2)C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C25H32ClN3O/c1-3-25(21-8-4-5-9-23(21)27-24(25)30)12-6-7-13-28-14-16-29(17-15-28)20-11-10-19(2)22(26)18-20/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3,(H,27,30)
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| InChIKey |
WDKYMABIRCWBQO-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