General Information of the Compound
| Compound ID |
CP0268759
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| Compound Name |
2-{1'-[(adamantan-2-yl)carbamoyl]-5-chloro-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid
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| Structure |
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| Formula |
C26H33ClN2O3
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| Molecular Weight |
457.014
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| Canonical SMILES |
OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H33ClN2O3/c27-20-1-2-22-21(13-20)19(12-23(30)31)14-26(22)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31)
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| InChIKey |
CIBXWQVHSMWQOJ-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