General Information of the Compound
| Compound ID |
CP0392662
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| Compound Name |
N-[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C26H32ClN3O4
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| Molecular Weight |
486.012
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| Canonical SMILES |
O[C@H](COc1ccccc1NC(=O)N1CCCC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C26H32ClN3O4/c27-20-7-8-23-19(15-20)16-26(34-23)9-13-29(14-10-26)17-21(31)18-33-24-6-2-1-5-22(24)28-25(32)30-11-3-4-12-30/h1-2,5-8,15,21,31H,3-4,9-14,16-18H2,(H,28,32)/t21-/m0/s1
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| InChIKey |
DUKMTYTZDQEOLB-NRFANRHFSA-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