General Information of the Compound
| Compound ID |
CP0450757
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| Compound Name |
US8637501, 60
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| Structure |
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| Formula |
C24H22F3N5O2
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| Molecular Weight |
469.467
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| Canonical SMILES |
Cn1c2CCCNCc2c2ccc(cc12)-n1ncc(OCc2ccc(nc2)C(F)(F)F)cc1=O
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| InChI |
InChI=1S/C24H22F3N5O2/c1-31-20-3-2-8-28-13-19(20)18-6-5-16(9-21(18)31)32-23(33)10-17(12-30-32)34-14-15-4-7-22(29-11-15)24(25,26)27/h4-7,9-12,28H,2-3,8,13-14H2,1H3
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| InChIKey |
CVZQMBDQIHLINJ-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