General Information of the Compound
| Compound ID |
CP0401135
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| Compound Name |
(2,4-dihydroxy-5-indol-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C20H21N3O3
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| Molecular Weight |
351.406
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc(c(O)cc1O)-n1ccc2ccccc12
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| InChI |
InChI=1S/C20H21N3O3/c1-21-8-10-22(11-9-21)20(26)15-12-17(19(25)13-18(15)24)23-7-6-14-4-2-3-5-16(14)23/h2-7,12-13,24-25H,8-11H2,1H3
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| InChIKey |
ADPSERRRZONZKD-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