General Information of the Compound
| Compound ID |
CP0079321
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| Compound Name |
1-(1,3-benzothiazol-2-yl)-5-[(1S,5R)-3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]pentan-1-one
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| Structure |
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| Formula |
C25H27ClN2O2S
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| Molecular Weight |
455.023
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| Canonical SMILES |
OC1(C[C@@H]2CC[C@H](C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H27ClN2O2S/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2/t19-,20+,25?
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| InChIKey |
SGGMEYGWAJEGIP-WPUZRXDDSA-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