General Information of the Compound
| Compound ID |
CP0450556
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| Compound Name |
US9187424, 158
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| Structure |
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| Formula |
C28H23ClF6N4O3
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| Molecular Weight |
612.958
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2ccc(Cl)nn2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H23ClF6N4O3/c1-16-3-5-17(6-4-16)20-15-26(28(33,34)35,18-7-9-19(10-8-18)42-14-2-13-27(30,31)32)37-25(41)23(20)36-24(40)21-11-12-22(29)39-38-21/h3-12H,2,13-15H2,1H3,(H,36,40)(H,37,41)
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| InChIKey |
LWPFISFDDJAVKX-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