General Information of the Compound
| Compound ID |
CP0541188
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| Compound Name |
2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxy-N-(2-hydroxyethyl)benzamide
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| Structure |
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| Formula |
C24H29ClN2O6
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| Molecular Weight |
476.957
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| Canonical SMILES |
OCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C24H29ClN2O6/c25-17-1-4-21-16(11-17)13-24(33-21)5-8-27(9-6-24)14-19(30)15-32-22-12-18(29)2-3-20(22)23(31)26-7-10-28/h1-4,11-12,19,28-30H,5-10,13-15H2,(H,26,31)/t19-/m0/s1
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| InChIKey |
KRROSCMACHJVKY-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