General Information of the Compound
| Compound ID |
CP0413547
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| Compound Name |
US9187429, 76
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| Structure |
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| Formula |
C17H16F4N2O2S
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| Molecular Weight |
388.386
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| Canonical SMILES |
CS(=O)(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1F)C(F)(F)F
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| InChI |
InChI=1S/C17H16F4N2O2S/c1-26(24,25)23-16-4-2-3-11-13(8-22-9-14(11)16)12-6-5-10(7-15(12)18)17(19,20)21/h5-9,16,23H,2-4H2,1H3/t16-/m1/s1
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| InChIKey |
ARZLMRPAMZHXBV-MRXNPFEDSA-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