General Information of the Compound
| Compound ID |
CP0868828
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| Compound Name |
US9200001, 60
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| Structure |
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| Formula |
C20H19F2N7O
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| Molecular Weight |
411.416
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| Canonical SMILES |
Cc1nc(C2CC2c2nc3ccc(OC(F)F)cc3[nH]2)cc(-n2nc(C)nc2C)n1
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| InChI |
InChI=1S/C20H19F2N7O/c1-9-24-16(8-18(25-9)29-11(3)23-10(2)28-29)13-7-14(13)19-26-15-5-4-12(30-20(21)22)6-17(15)27-19/h4-6,8,13-14,20H,7H2,1-3H3,(H,26,27)
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| InChIKey |
ZJPLQPBUNACUHH-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