General Information of the Compound
| Compound ID |
CP0399874
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| Compound Name |
3-[4-(4-Methanesulfonyl-benzyl)-[1,4]diazepan-1-yl]-1,1-diphenyl-propan-1-ol
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| Structure |
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| Formula |
C28H34N2O3S
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| Molecular Weight |
478.658
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| Canonical SMILES |
CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C28H34N2O3S/c1-34(32,33)27-15-13-24(14-16-27)23-30-19-8-18-29(21-22-30)20-17-28(31,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-16,31H,8,17-23H2,1H3
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| InChIKey |
QAPLCKNMNLMQBE-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