General Information of the Compound
| Compound ID |
CP0871456
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| Compound Name |
US9199981, F94
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| Structure |
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| Formula |
C22H17F4N5O3
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| Molecular Weight |
475.402
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| Canonical SMILES |
Cc1ccc(-c2noc(C3CC(O)(C(F)(F)F)C3)n2)cc1NC(=O)c1cnc2cc(F)ccn12
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| InChI |
InChI=1S/C22H17F4N5O3/c1-11-2-3-12(18-29-20(34-30-18)13-8-21(33,9-13)22(24,25)26)6-15(11)28-19(32)16-10-27-17-7-14(23)4-5-31(16)17/h2-7,10,13,33H,8-9H2,1H3,(H,28,32)
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| InChIKey |
RFSJBIGRJQSQJP-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