General Information of the Compound
| Compound ID |
CP0556450
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| Compound Name |
US9187424, 249
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| Structure |
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| Formula |
C30H25F7N2O3
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| Molecular Weight |
594.527
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2ccccc2F)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H25F7N2O3/c1-18-7-9-19(10-8-18)23-17-28(30(35,36)37,20-11-13-21(14-12-20)42-16-4-15-29(32,33)34)39-27(41)25(23)38-26(40)22-5-2-3-6-24(22)31/h2-3,5-14H,4,15-17H2,1H3,(H,38,40)(H,39,41)
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| InChIKey |
BAFGMRSTGVOFOT-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