General Information of the Compound
| Compound ID |
CP0486088
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| Compound Name |
CHEMBL2152115
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| Formula |
C24H21F3N4O
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| Molecular Weight |
438.453
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1C#N
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| InChI |
InChI=1S/C24H21F3N4O/c25-24(26,27)12-18-14-29-23-21(13-28)20(8-10-31(18)23)15-1-6-22-16(11-15)7-9-30(22)17-2-4-19(32)5-3-17/h1,6-11,14,17,19,32H,2-5,12H2/t17-,19-
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| InChIKey |
UGZFYEMQFOUSJI-UAPYVXQJSA-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