General Information of the Compound
| Compound ID |
CP0505289
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| Compound Name |
1-Benzoyl-5-(4-methylpiperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
CN1CCN(Cc2ccc3n(ccc3c2)C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C21H23N3O/c1-22-11-13-23(14-12-22)16-17-7-8-20-19(15-17)9-10-24(20)21(25)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3
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| InChIKey |
HSKURMQCRAGCJZ-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