General Information of the Compound
| Compound ID |
CP0386729
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| Compound Name |
CHEMBL463225
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| Formula |
C24H27F3N2O3
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| Molecular Weight |
448.485
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](O)(CC1)c1cccnc1)C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N2O3/c1-22(31,24(25,26)27)17-6-4-16(5-7-17)21(30)29(19-8-9-19)20-10-12-23(32,13-11-20)18-3-2-14-28-15-18/h2-7,14-15,19-20,31-32H,8-13H2,1H3/t20-,22-,23+/m0/s1
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| InChIKey |
WOQCMDAHCIEHJL-ACIOBRDBSA-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