General Information of the Compound
| Compound ID |
CP0367563
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| Compound Name |
1-(4-tert-butylphenylsulfonyl)-4-cyclopropyl-4-methoxyazepane
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| Structure |
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| Formula |
C20H31NO3S
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| Molecular Weight |
365.539
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| Canonical SMILES |
COC1(CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C1CC1
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| InChI |
InChI=1S/C20H31NO3S/c1-19(2,3)16-8-10-18(11-9-16)25(22,23)21-14-5-12-20(24-4,13-15-21)17-6-7-17/h8-11,17H,5-7,12-15H2,1-4H3
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| InChIKey |
GQUJPMOPVZJMPA-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