General Information of the Compound
| Compound ID |
CP0316539
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| Compound Name |
N-(2-adamantyl)-4-bromo-1-[2-(methanesulfonamido)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C27H36BrN3O4S
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| Molecular Weight |
578.573
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| Canonical SMILES |
CS(=O)(=O)NC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br
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| InChI |
InChI=1S/C27H36BrN3O4S/c1-36(34,35)30-23(32)14-20-15-27(24-21(20)3-2-4-22(24)28)5-7-31(8-6-27)26(33)29-25-18-10-16-9-17(12-18)13-19(25)11-16/h2-4,16-20,25H,5-15H2,1H3,(H,29,33)(H,30,32)
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| InChIKey |
AJHBTWPEUQMWQP-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