General Information of the Compound
| Compound ID |
CP0432224
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| Compound Name |
2-methyl-8-[5-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridin-3-yl]-2,8-diazaspiro[4.5]decan-3-one
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| Structure |
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| Formula |
C17H22F3N3O2
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| Molecular Weight |
357.376
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| Canonical SMILES |
CN1CC2(CC1=O)CCN(CC2)c1cncc(c1)[C@](C)(O)C(F)(F)F
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| InChI |
InChI=1S/C17H22F3N3O2/c1-15(25,17(18,19)20)12-7-13(10-21-9-12)23-5-3-16(4-6-23)8-14(24)22(2)11-16/h7,9-10,25H,3-6,8,11H2,1-2H3/t15-/m0/s1
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| InChIKey |
QVBNRWOOFURQGI-HNNXBMFYSA-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