General Information of the Compound
| Compound ID |
CP0488618
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| Compound Name |
US9340500, I-063
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| Structure |
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| Formula |
C27H25F3N4O3
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| Molecular Weight |
510.516
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)c1ccno1
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| InChI |
InChI=1S/C27H25F3N4O3/c1-18-22(25(35)32-21-11-6-10-20(16-21)27(28,29)30)17-23(19-8-4-3-5-9-19)34(18)15-7-14-33(2)26(36)24-12-13-31-37-24/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,32,35)
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| InChIKey |
VWJJVGKPLDREHM-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