General Information of the Compound
| Compound ID |
CP0578115
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| Compound Name |
US8614213, 19.70
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| Formula |
C23H24ClF3N4O
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| Molecular Weight |
464.919
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| Canonical SMILES |
Cn1nc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c2ccccc12
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| InChI |
InChI=1S/C23H24ClF3N4O/c1-31-20-5-3-2-4-17(20)21(30-31)28-13-14-6-9-16(10-7-14)29-22(32)18-12-15(23(25,26)27)8-11-19(18)24/h2-5,8,11-12,14,16H,6-7,9-10,13H2,1H3,(H,28,30)(H,29,32)/t14-,16-
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| InChIKey |
NWJMXZDVZCTKPU-KOMQPUFPSA-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