General Information of the Compound
| Compound ID |
CP0567231
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| Compound Name |
3-[4-[[4-[[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]phenyl]methoxy]phenyl]propanoic acid;hydrochloride
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| Structure |
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| Formula |
C34H39ClN4O5
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| Molecular Weight |
619.162
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| Canonical SMILES |
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(no3)-c3cccnc3)CCO4)cc2)cc1
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| InChI |
InChI=1S/C34H38N4O5.ClH/c39-32(40)12-9-25-7-10-30(11-8-25)41-24-27-5-3-26(4-6-27)23-38-17-14-34(15-18-38)21-28(13-19-42-34)20-31-36-33(37-43-31)29-2-1-16-35-22-29;/h1-8,10-11,16,22,28H,9,12-15,17-21,23-24H2,(H,39,40);1H
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| InChIKey |
SVCACHJEJHWEJH-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