General Information of the Compound
| Compound ID |
CP0226289
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| Compound Name |
US8999980, I-54
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| Structure |
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| Formula |
C19H16FN5O2
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| Molecular Weight |
365.368
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| Canonical SMILES |
CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C19H16FN5O2/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-8,10H,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1
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| InChIKey |
LLUIVDBCIQNSNG-IBGZPJMESA-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