General Information of the Compound
| Compound ID |
CP0421943
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| Compound Name |
10-(2-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl)ethyl)-10H-phenothiazine-2-carboxylic acid
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| Structure |
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| Formula |
C25H27N5O4S
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| Molecular Weight |
493.589
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
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| InChI |
InChI=1S/C25H27N5O4S/c1-26-22(16-23(31)27(2)25(26)34)29-12-9-28(10-13-29)11-14-30-18-5-3-4-6-20(18)35-21-8-7-17(24(32)33)15-19(21)30/h3-8,15-16H,9-14H2,1-2H3,(H,32,33)
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| InChIKey |
OYGQVRYZRZJCQY-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