General Information of the Compound
| Compound ID |
CP0577820
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| Compound Name |
US8969325, 302
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| Structure |
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| Formula |
C26H29ClF2N4O4
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| Molecular Weight |
534.991
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| Canonical SMILES |
FCC1(CF)C[C@@H](NC(=O)Nc2ccc3CC(N4CCCOCC4)C(=O)Nc3c2)c2ccc(Cl)cc2O1
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| InChI |
InChI=1S/C26H29ClF2N4O4/c27-17-3-5-19-21(13-26(14-28,15-29)37-23(19)11-17)32-25(35)30-18-4-2-16-10-22(24(34)31-20(16)12-18)33-6-1-8-36-9-7-33/h2-5,11-12,21-22H,1,6-10,13-15H2,(H,31,34)(H2,30,32,35)/t21-,22?/m1/s1
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| InChIKey |
CSEXWGLZEZDUBF-ZMFCMNQTSA-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