General Information of the Compound
| Compound ID |
CP0446136
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| Compound Name |
(2S)-1,1,1-trifluoro-2-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyridin-3-yl]propan-2-ol
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| Structure |
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| Formula |
C16H21F3N2O2
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| Molecular Weight |
330.35
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| Canonical SMILES |
C[C@](O)(c1cncc(c1)N1CCC2(CCOC2)CC1)C(F)(F)F
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| InChI |
InChI=1S/C16H21F3N2O2/c1-14(22,16(17,18)19)12-8-13(10-20-9-12)21-5-2-15(3-6-21)4-7-23-11-15/h8-10,22H,2-7,11H2,1H3/t14-/m0/s1
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| InChIKey |
YLZOPOQTQWNNIZ-AWEZNQCLSA-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