General Information of the Compound
| Compound ID |
CP0268757
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| Compound Name |
2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid
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| Structure |
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| Formula |
C27H36N2O3
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| Molecular Weight |
436.596
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| Canonical SMILES |
Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C27H36N2O3/c1-16-2-3-23-22(8-16)21(14-24(30)31)15-27(23)4-6-29(7-5-27)26(32)28-25-19-10-17-9-18(12-19)13-20(25)11-17/h2-3,8,17-21,25H,4-7,9-15H2,1H3,(H,28,32)(H,30,31)
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| InChIKey |
NNJVHRDAROUEEZ-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