General Information of the Compound
| Compound ID |
CP0947634
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| Compound Name |
tert-butyl {2-[7-(2-{[(4-fluorophenyl)sulfonyl]amino}ethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl}carbamate
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| Structure |
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| Formula |
C21H33FN4O5S
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| Molecular Weight |
472.583
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCN1CC2CN(CCNS(=O)(=O)c3ccc(F)cc3)CC(C1)O2
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| InChI |
InChI=1S/C21H33FN4O5S/c1-21(2,3)31-20(27)23-8-10-25-12-17-14-26(15-18(13-25)30-17)11-9-24-32(28,29)19-6-4-16(22)5-7-19/h4-7,17-18,24H,8-15H2,1-3H3,(H,23,27)
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| InChIKey |
IZQJTFHYUKUPBZ-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