General Information of the Compound
| Compound ID |
CP0392663
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| Compound Name |
(2S)-1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-[(2-methyl-1-benzofuran-4-yl)oxy]propan-2-ol
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| Structure |
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| Formula |
C24H26ClNO4
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| Molecular Weight |
427.928
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| Canonical SMILES |
Cc1cc2c(OC[C@@H](O)CN3CCC4(Cc5cc(Cl)ccc5O4)CC3)cccc2o1
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| InChI |
InChI=1S/C24H26ClNO4/c1-16-11-20-22(3-2-4-23(20)29-16)28-15-19(27)14-26-9-7-24(8-10-26)13-17-12-18(25)5-6-21(17)30-24/h2-6,11-12,19,27H,7-10,13-15H2,1H3/t19-/m0/s1
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| InChIKey |
VTAMDRCWAHGLNN-IBGZPJMESA-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