General Information of the Compound
| Compound ID |
CP0418135
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| Compound Name |
US9085576, 234
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| Structure |
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| Formula |
C19H17F4N5O2
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| Molecular Weight |
423.37
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F
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| InChI |
InChI=1S/C19H17F4N5O2/c1-8-2-9(15(21)22)5-25-14(8)17(29)27-10-3-12(16(23)26-6-10)19(7-20)11-4-13(11)30-18(24)28-19/h2-3,5-6,11,13,15H,4,7H2,1H3,(H2,24,28)(H,27,29)/t11-,13+,19-/m0/s1
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| InChIKey |
PLDDCQCMOHMNFP-XAEJFWIOSA-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