General Information of the Compound
| Compound ID |
CP0304108
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| Compound Name |
2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-cyclopropyl-4-methoxybenzamide
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| Structure |
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| Formula |
C26H31ClN2O5
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| Molecular Weight |
486.996
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| Canonical SMILES |
COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1
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| InChI |
InChI=1S/C26H31ClN2O5/c1-32-21-5-6-22(25(31)28-19-3-4-19)24(13-21)33-16-20(30)15-29-10-8-26(9-11-29)14-17-12-18(27)2-7-23(17)34-26/h2,5-7,12-13,19-20,30H,3-4,8-11,14-16H2,1H3,(H,28,31)/t20-/m0/s1
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| InChIKey |
MVACDKPCOURBQW-FQEVSTJZSA-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