General Information of the Compound
| Compound ID |
CP0502585
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| Compound Name |
CHEMBL2021497
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| Formula |
C25H26F3N3O2
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| Molecular Weight |
457.496
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| Canonical SMILES |
C[C@@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@](CC1)(C#N)c1ccccn1)C(F)(F)F
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| InChI |
InChI=1S/C25H26F3N3O2/c1-23(33,25(26,27)28)18-7-5-17(6-8-18)22(32)31(19-9-10-19)20-11-13-24(16-29,14-12-20)21-4-2-3-15-30-21/h2-8,15,19-20,33H,9-14H2,1H3/t20-,23-,24-/m1/s1
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| InChIKey |
ICILXSIRAUCUJO-AGILITTLSA-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