General Information of the Compound
| Compound ID |
CP0464821
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| Compound Name |
US9193726, 12
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| Structure |
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| Formula |
C25H25F3N4O3
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| Molecular Weight |
486.494
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(C[C@H]3CC[C@](C)(O3)c3ccc(cc3)C(F)(F)F)CCn2c1=O
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| InChI |
InChI=1S/C25H25F3N4O3/c1-16-13-31(15-29-16)20-7-8-21-22(33)30(11-12-32(21)23(20)34)14-19-9-10-24(2,35-19)17-3-5-18(6-4-17)25(26,27)28/h3-8,13,15,19H,9-12,14H2,1-2H3/t19-,24+/m1/s1
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| InChIKey |
VEZLUSRLXUYTBA-DVECYGJZSA-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