General Information of the Compound
| Compound ID |
CP0336902
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| Compound Name |
US8680275, 42
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| Structure |
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| Formula |
C21H19F4N7O
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| Molecular Weight |
461.423
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| Canonical SMILES |
Cc1cc(nc(n1)C(F)(F)F)N1CC2CCN(CC12)C(=O)c1cc(F)ccc1-n1nccn1
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| InChI |
InChI=1S/C21H19F4N7O/c1-12-8-18(29-20(28-12)21(23,24)25)31-10-13-4-7-30(11-17(13)31)19(33)15-9-14(22)2-3-16(15)32-26-5-6-27-32/h2-3,5-6,8-9,13,17H,4,7,10-11H2,1H3
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| InChIKey |
KLCIUBIBYLAGQH-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