General Information of the Compound
| Compound ID |
CP0577289
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| Compound Name |
US9187424, 14
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| Structure |
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| Formula |
C26H22F6N2O3
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| Molecular Weight |
524.461
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| Canonical SMILES |
COc1ccc(cc1)C1=C(C#N)C(=O)NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)C11CC1
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| InChI |
InChI=1S/C26H22F6N2O3/c1-36-18-7-3-16(4-8-18)21-20(15-33)22(35)34-25(26(30,31)32,23(21)12-13-23)17-5-9-19(10-6-17)37-14-2-11-24(27,28)29/h3-10H,2,11-14H2,1H3,(H,34,35)
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| InChIKey |
RDUZFLCPJTYRTN-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