General Information of the Compound
| Compound ID |
CP0503678
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| Compound Name |
US8969325, 44
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| Structure |
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| Formula |
C24H29FN4O4
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| Molecular Weight |
456.518
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2cccc(F)c2O1
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| InChI |
InChI=1S/C24H29FN4O4/c1-3-24(4-2)13-20(17-6-5-7-18(25)21(17)33-24)27-22(31)26-16-9-8-15-14-29(10-11-30)23(32)28-19(15)12-16/h5-9,12,20,30H,3-4,10-11,13-14H2,1-2H3,(H,28,32)(H2,26,27,31)/t20-/m1/s1
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| InChIKey |
WAONBWFFCICMHL-HXUWFJFHSA-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