General Information of the Compound
| Compound ID |
CP0401609
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| Compound Name |
[4-[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenoxy]piperidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
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| Structure |
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| Formula |
C26H30N4O5
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| Molecular Weight |
478.549
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCC(O)C2)cc1
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| InChI |
InChI=1S/C26H30N4O5/c1-33-21-8-4-19(5-9-21)24-27-28-25(35-24)26(32)30-14-11-23(12-15-30)34-22-6-2-18(3-7-22)16-29-13-10-20(31)17-29/h2-9,20,23,31H,10-17H2,1H3
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| InChIKey |
PQJBNMMBGFSJDD-UHFFFAOYSA-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