General Information of the Compound
| Compound ID |
CP0011455
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| Compound Name |
3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenothiazin-10-ylpropan-1-one
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| Structure |
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| Formula |
C27H25N3OS
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| Molecular Weight |
439.584
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| Canonical SMILES |
CN1CCc2c(C1)c1ccccc1n2CCC(=O)N1c2ccccc2Sc2ccccc12
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| InChI |
InChI=1S/C27H25N3OS/c1-28-16-14-22-20(18-28)19-8-2-3-9-21(19)29(22)17-15-27(31)30-23-10-4-6-12-25(23)32-26-13-7-5-11-24(26)30/h2-13H,14-18H2,1H3
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| InChIKey |
CZOTVKAOVGNSQX-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