General Information of the Compound
| Compound ID |
CP0554197
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| Compound Name |
US8969325, 208
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| Structure |
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| Formula |
C21H22F3N5O3
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| Molecular Weight |
449.433
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| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4nc(ccc34)C(F)(F)F)cc2NC1=O
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| InChI |
InChI=1S/C21H22F3N5O3/c1-20(2)9-15(13-6-7-16(21(22,23)24)28-17(13)32-20)26-18(30)25-12-5-4-11-10-29(3)19(31)27-14(11)8-12/h4-8,15H,9-10H2,1-3H3,(H,27,31)(H2,25,26,30)/t15-/m1/s1
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| InChIKey |
ZULDZZKYDAIOPO-OAHLLOKOSA-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