General Information of the Compound
| Compound ID |
CP0551342
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| Compound Name |
US8969325, 144
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| Structure |
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| Formula |
C24H27F3N4O3
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| Molecular Weight |
476.499
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2cccc3N(C)C(=O)NCc23)c2ccc(cc2O1)C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N4O3/c1-4-23(5-2)12-18(15-10-9-14(24(25,26)27)11-20(15)34-23)30-21(32)29-17-7-6-8-19-16(17)13-28-22(33)31(19)3/h6-11,18H,4-5,12-13H2,1-3H3,(H,28,33)(H2,29,30,32)/t18-/m1/s1
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| InChIKey |
LTLGPDJXHJJKON-GOSISDBHSA-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