General Information of the Compound
| Compound ID |
CP0496193
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| Compound Name |
10-((1-(3-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)(methyl)amino)propyl)piperidin-4-yl)methyl)-10H-phenothiazine-2-carboxylic acid
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| Structure |
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| Formula |
C29H35N5O4S
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| Molecular Weight |
549.697
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| Canonical SMILES |
CN(CCCN1CCC(CN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1)c1cc(=O)n(C)c(=O)n1C
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| InChI |
InChI=1S/C29H35N5O4S/c1-30(26-18-27(35)32(3)29(38)31(26)2)13-6-14-33-15-11-20(12-16-33)19-34-22-7-4-5-8-24(22)39-25-10-9-21(28(36)37)17-23(25)34/h4-5,7-10,17-18,20H,6,11-16,19H2,1-3H3,(H,36,37)
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| InChIKey |
MMKZIPYPZZNRTO-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