General Information of the Compound
| Compound ID |
CP0478852
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| Compound Name |
US9216968, 145
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| Structure |
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| Formula |
C25H21ClF3N5O2
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| Molecular Weight |
515.923
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| Canonical SMILES |
CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C25H21ClF3N5O2/c1-13-18(26)9-6-10-19(13)31-23(36)16-11-14(12-20-21(16)33-24(32-20)34(2)3)30-22(35)15-7-4-5-8-17(15)25(27,28)29/h4-12H,1-3H3,(H,30,35)(H,31,36)(H,32,33)
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| InChIKey |
PIIOTMGACSJUJB-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