General Information of the Compound
| Compound ID |
CP0400597
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| Compound Name |
US8969325, 59
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| Structure |
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| Formula |
C22H24ClFN4O4
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| Molecular Weight |
462.909
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| Canonical SMILES |
C[C@@]1(CF)C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2ccc(Cl)cc2O1
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| InChI |
InChI=1S/C22H24ClFN4O4/c1-22(12-24)10-18(16-5-3-14(23)8-19(16)32-22)26-20(30)25-15-4-2-13-11-28(6-7-29)21(31)27-17(13)9-15/h2-5,8-9,18,29H,6-7,10-12H2,1H3,(H,27,31)(H2,25,26,30)/t18-,22+/m1/s1
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| InChIKey |
VYVCXWVLZUFBNK-GCJKJVERSA-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