General Information of the Compound
| Compound ID |
CP0399877
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| Compound Name |
US8969325, 48
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| Structure |
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| Formula |
C23H25F3N4O4
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| Molecular Weight |
478.471
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2ccc(cc2O1)C(F)(F)F
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| InChI |
InChI=1S/C23H25F3N4O4/c1-22(2)11-18(16-6-4-14(23(24,25)26)9-19(16)34-22)28-20(32)27-15-5-3-13-12-30(7-8-31)21(33)29-17(13)10-15/h3-6,9-10,18,31H,7-8,11-12H2,1-2H3,(H,29,33)(H2,27,28,32)/t18-/m1/s1
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| InChIKey |
XSAGZOXSQQZXCA-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