General Information of the Compound
| Compound ID |
CP0400453
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| Compound Name |
US8629158, 44
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| Structure |
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| Formula |
C24H20F3N5O
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| Molecular Weight |
451.452
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| Canonical SMILES |
Cn1c2CC3CCC(N3)c2c2ccc(nc12)-n1ccc(cc1=O)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C24H20F3N5O/c1-31-18-11-15-3-5-17(29-15)22(18)16-4-7-20(30-23(16)31)32-9-8-13(10-21(32)33)14-2-6-19(28-12-14)24(25,26)27/h2,4,6-10,12,15,17,29H,3,5,11H2,1H3
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| InChIKey |
JSKSHENVZVESEE-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