General Information of the Compound
| Compound ID |
CP0478815
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| Compound Name |
US9353081, 34
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| Structure |
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| Formula |
C21H24ClN3O3S
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| Molecular Weight |
433.961
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| Canonical SMILES |
CCS(=O)(=O)NC1CCCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1Cl
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| InChI |
InChI=1S/C21H24ClN3O3S/c1-3-29(27,28)24-19-6-4-5-14-16(11-23-12-17(14)19)15-9-13-7-8-21(26)25(2)20(13)10-18(15)22/h9-12,19,24H,3-8H2,1-2H3
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| InChIKey |
GDFFFZVMFMXFKF-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