General Information of the Compound
| Compound ID |
CP0013002
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| Compound Name |
3-(8-methoxypyrido[4,3-b]indol-5-yl)-1-phenothiazin-10-ylpropan-1-one
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| Formula |
C27H21N3O2S
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| Molecular Weight |
451.551
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| Canonical SMILES |
COc1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3ccncc3c2c1
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| InChI |
InChI=1S/C27H21N3O2S/c1-32-18-10-11-21-19(16-18)20-17-28-14-12-22(20)29(21)15-13-27(31)30-23-6-2-4-8-25(23)33-26-9-5-3-7-24(26)30/h2-12,14,16-17H,13,15H2,1H3
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| InChIKey |
BTQBWKICBNYTJF-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