General Information of the Compound
| Compound ID |
CP0529190
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| Compound Name |
US9187424, 299
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| Structure |
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| Formula |
C29H25F6N3O3
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| Molecular Weight |
577.525
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2cccnc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H25F6N3O3/c1-18-5-7-19(8-6-18)23-16-27(29(33,34)35,21-9-11-22(12-10-21)41-15-3-13-28(30,31)32)38-26(40)24(23)37-25(39)20-4-2-14-36-17-20/h2,4-12,14,17H,3,13,15-16H2,1H3,(H,37,39)(H,38,40)
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| InChIKey |
MWUVEPWTMZDLMC-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