General Information of the Compound
| Compound ID |
CP0529181
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| Compound Name |
US9216968, 47
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| Structure |
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| Formula |
C23H23F3N4O2
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| Molecular Weight |
444.457
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| Canonical SMILES |
Cn1cnc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc12)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C23H23F3N4O2/c1-30-13-27-20-17(22(32)28-14-7-3-2-4-8-14)11-15(12-19(20)30)29-21(31)16-9-5-6-10-18(16)23(24,25)26/h5-6,9-14H,2-4,7-8H2,1H3,(H,28,32)(H,29,31)
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| InChIKey |
QRWMNZANUWWGHM-UHFFFAOYSA-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