General Information of the Compound
| Compound ID |
CP0510194
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| Compound Name |
US8680275, 89
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| Structure |
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| Formula |
C19H20F3N5O
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| Molecular Weight |
391.397
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccnc1C(F)(F)F
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| InChI |
InChI=1S/C19H20F3N5O/c1-11-8-12(2)25-18(24-11)27-9-13-5-7-26(10-15(13)27)17(28)14-4-3-6-23-16(14)19(20,21)22/h3-4,6,8,13,15H,5,7,9-10H2,1-2H3/t13-,15-/m0/s1
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| InChIKey |
LJZIGRNYUYTLML-ZFWWWQNUSA-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