General Information of the Compound
| Compound ID |
CP0375134
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| Compound Name |
2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-cyclopropylbenzamide
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| Structure |
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| Formula |
C25H29ClN2O4
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| Molecular Weight |
456.97
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| Canonical SMILES |
O[C@H](COc1ccccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C25H29ClN2O4/c26-18-5-8-22-17(13-18)14-25(32-22)9-11-28(12-10-25)15-20(29)16-31-23-4-2-1-3-21(23)24(30)27-19-6-7-19/h1-5,8,13,19-20,29H,6-7,9-12,14-16H2,(H,27,30)/t20-/m0/s1
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| InChIKey |
JUUHNDDXTYAFHK-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