General Information of the Compound
| Compound ID |
CP0527292
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| Compound Name |
US9216968, 15
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| Structure |
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| Formula |
C22H21F3N4O2
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| Molecular Weight |
430.43
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| Canonical SMILES |
Cc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NC1CCCC1
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| InChI |
InChI=1S/C22H21F3N4O2/c1-12-26-18-11-14(29-20(30)15-8-4-5-9-17(15)22(23,24)25)10-16(19(18)27-12)21(31)28-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,26,27)(H,28,31)(H,29,30)
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| InChIKey |
NLMKERLVCMSZEG-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