General Information of the Compound
| Compound ID |
CP0413242
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| Compound Name |
US9206164, 85
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| Structure |
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| Formula |
C21H20FN5O2
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| Molecular Weight |
393.422
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2F)-c2nc3cncc(C)c3[nH]2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C21H20FN5O2/c1-11-8-23-9-18-20(11)25-21(24-18)14-4-5-15(17(22)6-14)10-27-13(3)16(7-19(28)29)12(2)26-27/h4-6,8-9H,7,10H2,1-3H3,(H,24,25)(H,28,29)
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| InChIKey |
VWGQVUAMKXHDQQ-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