General Information of the Compound
| Compound ID |
CP0536978
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| Compound Name |
US8653100, 3
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| Structure |
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| Formula |
C28H29ClN2O2
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| Molecular Weight |
461.005
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNC(=O)c3ccccc3)cc12
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| InChI |
InChI=1S/C28H29ClN2O2/c29-23-10-8-22(9-11-23)28(14-4-15-28)26-25-19-24(12-7-20(25)13-16-30-26)33-18-17-31-27(32)21-5-2-1-3-6-21/h1-3,5-12,19,26,30H,4,13-18H2,(H,31,32)
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| InChIKey |
SWSAJBNHMGKXPH-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