General Information of the Compound
| Compound ID |
CP0481106
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| Compound Name |
US9493412, 178
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| Formula |
C24H28F3N3O4
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| Molecular Weight |
479.499
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| Canonical SMILES |
CN(CCN1CC(C(=O)N[C@H]2CC[C@H](CC2)c2ccccc2)=C(O)C1=O)C(=O)C=CC(F)(F)F
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| InChI |
InChI=1S/C24H28F3N3O4/c1-29(20(31)11-12-24(25,26)27)13-14-30-15-19(21(32)23(30)34)22(33)28-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,11-12,17-18,32H,7-10,13-15H2,1H3,(H,28,33)/b12-11+/t17-,18+
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| InChIKey |
UPUKMVQBEKBGHK-JZYAGYNQSA-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