General Information of the Compound
| Compound ID |
CP0486852
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| Compound Name |
US9428456, 1.270
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| Structure |
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| Formula |
C25H32ClN3O3
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| Molecular Weight |
458.002
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C(O)c3ccccc3Cl)c2)CC1
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| InChI |
InChI=1S/C25H32ClN3O3/c1-25(2,3)28-23(31)18-11-13-29(14-12-18)16-17-7-6-8-19(15-17)27-24(32)22(30)20-9-4-5-10-21(20)26/h4-10,15,18,22,30H,11-14,16H2,1-3H3,(H,27,32)(H,28,31)
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| InChIKey |
OSOQJBCTUHQVMP-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