General Information of the Compound
| Compound ID |
CP0556397
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| Compound Name |
US8969325, 46
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| Structure |
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| Formula |
C25H29F3N4O4
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| Molecular Weight |
506.525
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2ccc(cc2O1)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N4O4/c1-3-24(4-2)13-20(18-8-6-16(25(26,27)28)11-21(18)36-24)30-22(34)29-17-7-5-15-14-32(9-10-33)23(35)31-19(15)12-17/h5-8,11-12,20,33H,3-4,9-10,13-14H2,1-2H3,(H,31,35)(H2,29,30,34)/t20-/m1/s1
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| InChIKey |
ULFQPBWTDKIDLR-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