General Information of the Compound
| Compound ID |
CP0446111
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| Compound Name |
3-[4-[[4-[[4-[(3-fluorophenyl)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 |
C33H39ClFNO4
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| Molecular Weight |
568.129
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| Canonical SMILES |
Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3cccc(F)c3)CCO4)cc2)cc1
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| InChI |
InChI=1S/C33H38FNO4.ClH/c34-30-3-1-2-28(21-30)20-29-14-19-39-33(22-29)15-17-35(18-16-33)23-26-4-6-27(7-5-26)24-38-31-11-8-25(9-12-31)10-13-32(36)37;/h1-9,11-12,21,29H,10,13-20,22-24H2,(H,36,37);1H
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| InChIKey |
HUJMHQPUNXABNR-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