General Information of the Compound
| Compound ID |
CP0373138
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| Compound Name |
3-ethyl-1-methyl-3-[4-(4-phenylpiperazin-1-yl)butyl]indol-2-one
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| Structure |
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| Formula |
C25H33N3O
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| Molecular Weight |
391.559
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2ccccc2)C(=O)N(C)c2ccccc12
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| InChI |
InChI=1S/C25H33N3O/c1-3-25(22-13-7-8-14-23(22)26(2)24(25)29)15-9-10-16-27-17-19-28(20-18-27)21-11-5-4-6-12-21/h4-8,11-14H,3,9-10,15-20H2,1-2H3
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| InChIKey |
RVQMTJJHPYXXSR-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