General Information of the Compound
| Compound ID |
CP0391796
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| Compound Name |
N-[2-[(2S)-2-amino-3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy]-4-methoxyphenyl]acetamide
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(Cc4ccccc4O3)CC2)c1
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| InChI |
InChI=1S/C24H31N3O4/c1-17(28)26-21-8-7-20(29-2)13-23(21)30-16-19(25)15-27-11-9-24(10-12-27)14-18-5-3-4-6-22(18)31-24/h3-8,13,19H,9-12,14-16,25H2,1-2H3,(H,26,28)/t19-/m0/s1
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| InChIKey |
VNNNTNKEXAIYHX-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