General Information of the Compound
| Compound ID |
CP0500116
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| Compound Name |
US8637501, 27
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| Structure |
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| Formula |
C24H21F3N4O
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| Molecular Weight |
438.453
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| Canonical SMILES |
Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F3N4O/c1-30-20-3-2-9-28-14-19(20)18-6-5-17(12-21(18)30)31-10-8-15(11-23(31)32)16-4-7-22(29-13-16)24(25,26)27/h4-8,10-13,28H,2-3,9,14H2,1H3
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| InChIKey |
KBMFOUDQAKQTJT-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