General Information of the Compound
| Compound ID |
CP0089325
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| Compound Name |
1-(4-tert-butylphenylsulfonyl)-4-phenylazepan-4-ol
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| Structure |
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| Formula |
C22H29NO3S
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| Molecular Weight |
387.545
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCC(O)(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H29NO3S/c1-21(2,3)18-10-12-20(13-11-18)27(25,26)23-16-7-14-22(24,15-17-23)19-8-5-4-6-9-19/h4-6,8-13,24H,7,14-17H2,1-3H3
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| InChIKey |
ICDJUCYBESEOJP-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