General Information of the Compound
| Compound ID |
CP0472295
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| Compound Name |
US9428456, 1.143
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| Structure |
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| Formula |
C28H34ClN3O3
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| Molecular Weight |
496.051
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| Canonical SMILES |
Clc1ccc(C(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC3CCCCC3)c2)c2CCOc12
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| InChI |
InChI=1S/C28H34ClN3O3/c29-25-10-9-24(23-13-16-35-26(23)25)28(34)31-22-8-4-5-19(17-22)18-32-14-11-20(12-15-32)27(33)30-21-6-2-1-3-7-21/h4-5,8-10,17,20-21H,1-3,6-7,11-16,18H2,(H,30,33)(H,31,34)
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| InChIKey |
ZBECGCBSMMAODF-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