General Information of the Compound
| Compound ID |
CP0484005
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| Compound Name |
US9187424, 169
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| Structure |
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| Formula |
C30H25ClF6N2O3
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| Molecular Weight |
610.982
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2cccc(Cl)c2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H25ClF6N2O3/c1-18-6-8-19(9-7-18)24-17-28(30(35,36)37,21-10-12-23(13-11-21)42-15-3-14-29(32,33)34)39-27(41)25(24)38-26(40)20-4-2-5-22(31)16-20/h2,4-13,16H,3,14-15,17H2,1H3,(H,38,40)(H,39,41)
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| InChIKey |
BBPMTXSVVSCDSC-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