General Information of the Compound
| Compound ID |
CP0235300
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| Compound Name |
1-(4-tert-butylphenylsulfonyl)-4-methoxy-4-phenylazepane
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| Structure |
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| Formula |
C23H31NO3S
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| Molecular Weight |
401.572
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| Canonical SMILES |
COC1(CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1
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| InChI |
InChI=1S/C23H31NO3S/c1-22(2,3)19-11-13-21(14-12-19)28(25,26)24-17-8-15-23(27-4,16-18-24)20-9-6-5-7-10-20/h5-7,9-14H,8,15-18H2,1-4H3
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| InChIKey |
ZRXFZVFGINBCMU-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