General Information of the Compound
| Compound ID |
CP0464079
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| Compound Name |
3-[4-[[4-[[4-[2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)ethyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]phenyl]methoxy]phenyl]propanoic acid;dihydrochloride
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| Structure |
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| Formula |
C35H45Cl2N3O5
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| Molecular Weight |
658.667
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| Canonical SMILES |
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncnc5CCCc35)CCO4)cc2)cc1
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| InChI |
InChI=1S/C35H43N3O5.2ClH/c39-33(40)13-10-26-8-11-30(12-9-26)42-24-29-6-4-28(5-7-29)23-38-18-16-35(17-19-38)22-27(15-21-43-35)14-20-41-34-31-2-1-3-32(31)36-25-37-34;;/h4-9,11-12,25,27H,1-3,10,13-24H2,(H,39,40);2*1H
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| InChIKey |
BYSVZGUONCNDIX-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