General Information of the Compound
| Compound ID |
CP0400452
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| Compound Name |
US8629158, 43
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| Structure |
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| Formula |
C24H22FN5O2
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| Molecular Weight |
431.471
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| Canonical SMILES |
Cn1c2CC3CCC(N3)c2c2ccc(nc12)-n1ccc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C24H22FN5O2/c1-29-20-10-15-4-6-19(27-15)23(20)18-5-7-21(28-24(18)29)30-9-8-17(11-22(30)31)32-13-16-3-2-14(25)12-26-16/h2-3,5,7-9,11-12,15,19,27H,4,6,10,13H2,1H3
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| InChIKey |
IWAXJAXOICJNEI-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