General Information of the Compound
| Compound ID |
CP0518232
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| Compound Name |
US9216968, 5
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| Structure |
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| Formula |
C23H23F3N4O3
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| Molecular Weight |
460.456
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| Canonical SMILES |
OC1(CNC(=O)c2cc(NC(=O)c3ccccc3C(F)(F)F)cc3[nH]cnc23)CCCCC1
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| InChI |
InChI=1S/C23H23F3N4O3/c24-23(25,26)17-7-3-2-6-15(17)21(32)30-14-10-16(19-18(11-14)28-13-29-19)20(31)27-12-22(33)8-4-1-5-9-22/h2-3,6-7,10-11,13,33H,1,4-5,8-9,12H2,(H,27,31)(H,28,29)(H,30,32)
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| InChIKey |
RXDLKSCGXZQFRR-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