General Information of the Compound
| Compound ID |
CP0383405
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| Compound Name |
1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-(5-methyl-2-phenyl-1H-indol-3-yl)-propan-1-one
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| Structure |
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| Formula |
C29H31N3O2
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| Molecular Weight |
453.586
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c([nH]c2ccc(C)cc12)-c1ccccc1
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| InChI |
InChI=1S/C29H31N3O2/c1-21-12-14-25-24(20-21)23(29(30-25)22-8-4-3-5-9-22)13-15-28(33)32-18-16-31(17-19-32)26-10-6-7-11-27(26)34-2/h3-12,14,20,30H,13,15-19H2,1-2H3
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| InChIKey |
RRQHBXFZUXIDJS-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