General Information of the Compound
| Compound ID |
CP0507992
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| Compound Name |
10-((1-(3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-ylamino)propyl)piperidin-4-yl)methyl)-10H-phenothiazine-2-carboxylic acid
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| Structure |
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| Formula |
C28H33N5O4S
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| Molecular Weight |
535.67
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| Canonical SMILES |
Cn1c(NCCCN2CCC(CN3c4ccccc4Sc4ccc(cc34)C(O)=O)CC2)cc(=O)n(C)c1=O
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| InChI |
InChI=1S/C28H33N5O4S/c1-30-25(17-26(34)31(2)28(30)37)29-12-5-13-32-14-10-19(11-15-32)18-33-21-6-3-4-7-23(21)38-24-9-8-20(27(35)36)16-22(24)33/h3-4,6-9,16-17,19,29H,5,10-15,18H2,1-2H3,(H,35,36)
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| InChIKey |
ZPASDZSMHRZWEN-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