General Information of the Compound
| Compound ID |
CP0474327
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| Compound Name |
[4-(4-methylanilino)pyrimidin-5-yl]-(1-methylsulfonylpiperidin-4-yl)methanol
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| Structure |
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| Formula |
C18H24N4O3S
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| Molecular Weight |
376.482
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| Canonical SMILES |
Cc1ccc(Nc2ncncc2C(O)C2CCN(CC2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C18H24N4O3S/c1-13-3-5-15(6-4-13)21-18-16(11-19-12-20-18)17(23)14-7-9-22(10-8-14)26(2,24)25/h3-6,11-12,14,17,23H,7-10H2,1-2H3,(H,19,20,21)
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| InChIKey |
BFABGZAJXQTMET-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Protein ID: PT06518, Cytochrome P450 11B2, mitochondrial