General Information of the Compound
| Compound ID |
CP0945627
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| Compound Name |
US8921559, 29
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| Structure |
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| Formula |
C28H34FN5O2
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| Molecular Weight |
491.611
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C28H34FN5O2/c29-20-7-11-22(12-8-20)33-28(36)34-15-13-19(14-16-34)26(27(30)35)32-21-9-5-18(6-10-21)24-17-31-25-4-2-1-3-23(24)25/h1-4,7-8,11-12,17-19,21,26,31-32H,5-6,9-10,13-16H2,(H2,30,35)(H,33,36)
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| InChIKey |
XPKASGCXNGORQS-UHFFFAOYSA-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