General Information of the Compound
| Compound ID |
CP0526183
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| Compound Name |
3-[4-[[4-[[4-[2-[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]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 |
C38H49Cl2N3O5
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| Molecular Weight |
698.732
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| Canonical SMILES |
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3nc(nc5CCCc35)C3CC3)CCO4)cc2)cc1
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| InChI |
InChI=1S/C38H47N3O5.2ClH/c42-35(43)15-10-27-8-13-32(14-9-27)45-26-30-6-4-29(5-7-30)25-41-20-18-38(19-21-41)24-28(17-23-46-38)16-22-44-37-33-2-1-3-34(33)39-36(40-37)31-11-12-31;;/h4-9,13-14,28,31H,1-3,10-12,15-26H2,(H,42,43);2*1H
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| InChIKey |
JUQNXJNIPVJXHV-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