General Information of the Compound
| Compound ID |
CP0373137
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| Compound Name |
1-benzyl-3-ethyl-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indol-2-one
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| Structure |
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| Formula |
C32H39N3O2
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| Molecular Weight |
497.683
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| Canonical SMILES |
CCC1(CCCCN2CCN(CC2)c2ccccc2OC)C(=O)N(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C32H39N3O2/c1-3-32(27-15-7-8-16-28(27)35(31(32)36)25-26-13-5-4-6-14-26)19-11-12-20-33-21-23-34(24-22-33)29-17-9-10-18-30(29)37-2/h4-10,13-18H,3,11-12,19-25H2,1-2H3
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| InChIKey |
VCJCWDIJWRZRLQ-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