General Information of the Compound
| Compound ID |
CP0400433
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| Compound Name |
US8637501, 3
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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 |
Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F3N4O/c1-30-21-7-10-28-9-6-19(21)18-4-3-17(13-22(18)30)31-11-8-15(12-23(31)32)20-5-2-16(14-29-20)24(25,26)27/h2-5,8,11-14,28H,6-7,9-10H2,1H3
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| InChIKey |
XSWIQCFYKNJHLI-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