General Information of the Compound
| Compound ID |
CP0561105
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| Compound Name |
US8969325, 261
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| Structure |
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| Formula |
C25H28F3N3O3
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| Molecular Weight |
475.511
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3CCC(=O)N(C)c3c2)c2ccc(cc2O1)C(F)(F)F
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| InChI |
InChI=1S/C25H28F3N3O3/c1-4-24(5-2)14-19(18-10-8-16(25(26,27)28)12-21(18)34-24)30-23(33)29-17-9-6-15-7-11-22(32)31(3)20(15)13-17/h6,8-10,12-13,19H,4-5,7,11,14H2,1-3H3,(H2,29,30,33)/t19-/m1/s1
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| InChIKey |
DJEZABPYAKFPJP-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