General Information of the Compound
| Compound ID |
CP0425554
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| Compound Name |
US9199981, F135
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| Structure |
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| Formula |
C24H22F3N5O3
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| Molecular Weight |
485.466
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| Canonical SMILES |
COC1(CC(C1)c1nc(no1)-c1ccc(C)c(c1)N(C)C(=O)c1cnc2ccccn12)C(F)(F)F
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| InChI |
InChI=1S/C24H22F3N5O3/c1-14-7-8-15(20-29-21(35-30-20)16-11-23(12-16,34-3)24(25,26)27)10-17(14)31(2)22(33)18-13-28-19-6-4-5-9-32(18)19/h4-10,13,16H,11-12H2,1-3H3
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| InChIKey |
VLIRSVBOVAFGHU-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