General Information of the Compound
| Compound ID |
CP0411039
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| Compound Name |
N-[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-methoxyphenyl]acetamide
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| Structure |
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| Formula |
C24H29ClN2O5
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| Molecular Weight |
460.958
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| Canonical SMILES |
COc1ccc(NC(C)=O)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1
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| InChI |
InChI=1S/C24H29ClN2O5/c1-16(28)26-21-5-4-20(30-2)12-23(21)31-15-19(29)14-27-9-7-24(8-10-27)13-17-11-18(25)3-6-22(17)32-24/h3-6,11-12,19,29H,7-10,13-15H2,1-2H3,(H,26,28)/t19-/m0/s1
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| InChIKey |
QWHNOQNYFNTBJI-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