General Information of the Compound
| Compound ID |
CP0953124
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| Compound Name |
N-(2-{7-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)propane-2-sulfonamide
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| Structure |
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| Formula |
C21H32N4O5S
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| Molecular Weight |
452.577
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| Canonical SMILES |
CC(C)S(=O)(=O)NCCN1CC2CN(C[C@H](O)COc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C21H32N4O5S/c1-16(2)31(27,28)23-7-8-24-11-20-13-25(14-21(12-24)30-20)10-18(26)15-29-19-5-3-17(9-22)4-6-19/h3-6,16,18,20-21,23,26H,7-8,10-15H2,1-2H3/t18-,20?,21?/m0/s1
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| InChIKey |
SXIUZAIGXHEFLZ-PELRDEGISA-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