General Information of the Compound
| Compound ID |
CP0451561
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| Compound Name |
US9353081, 54
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| Structure |
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| Formula |
C22H23F2N3O2
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| Molecular Weight |
399.441
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| Canonical SMILES |
CCC(=O)N[C@H]1[C@H](F)CCc2c1cncc2-c1cc2CCC(=O)N(C)c2cc1F
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| InChI |
InChI=1S/C22H23F2N3O2/c1-3-20(28)26-22-16-11-25-10-15(13(16)5-6-17(22)23)14-8-12-4-7-21(29)27(2)19(12)9-18(14)24/h8-11,17,22H,3-7H2,1-2H3,(H,26,28)/t17-,22-/m1/s1
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| InChIKey |
WKHNTIGVBRUGAV-VGOFRKELSA-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