General Information of the Compound
| Compound ID |
CP0431578
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| Compound Name |
CHEMBL460923
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| Formula |
C27H26F3N3O2
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| Molecular Weight |
481.518
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1ccc(cc1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C27H26F3N3O2/c1-25(35,27(28,29)30)20-8-4-19(5-9-20)24(34)33(22-10-11-22)23-12-14-26(17-32,15-13-23)21-6-2-18(16-31)3-7-21/h2-9,22-23,35H,10-15H2,1H3/t23-,25-,26-/m0/s1
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| InChIKey |
BYOASLXCOMWGNB-RNXOBYDBSA-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1