General Information of the Compound
| Compound ID |
CP0449600
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| Compound Name |
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-{2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}propyl)acetamide
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| Structure |
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| Formula |
C25H29N3OS2
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| Molecular Weight |
451.661
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| Canonical SMILES |
O=C(CSc1nc2ccccc2s1)NCCCN1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C25H29N3OS2/c29-23(18-30-24-27-21-8-3-4-9-22(21)31-24)26-14-5-15-28-16-12-25(13-17-28)11-10-19-6-1-2-7-20(19)25/h1-4,6-9H,5,10-18H2,(H,26,29)
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| InChIKey |
UWZUEPMEMOCBRG-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