General Information of the Compound
| Compound ID |
CP0536269
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| Compound Name |
US8969325, 191
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| Structure |
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| Formula |
C24H27F3N4O4
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| Molecular Weight |
492.498
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3CN(C)C(=O)Nc3c2)c2ccc(OC(F)(F)F)cc2O1
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| InChI |
InChI=1S/C24H27F3N4O4/c1-4-23(5-2)12-19(17-9-8-16(11-20(17)35-23)34-24(25,26)27)29-21(32)28-15-7-6-14-13-31(3)22(33)30-18(14)10-15/h6-11,19H,4-5,12-13H2,1-3H3,(H,30,33)(H2,28,29,32)/t19-/m1/s1
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| InChIKey |
KRSHGZSXLZSFDQ-LJQANCHMSA-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