General Information of the Compound
| Compound ID |
CP0481382
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| Compound Name |
3-[4-[[4-[[4-[2-(3,6-dimethylpyrazin-2-yl)oxyethyl]-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 |
C34H45Cl2N3O5
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| Molecular Weight |
646.656
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| Canonical SMILES |
Cl.Cl.Cc1cnc(C)c(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(O)=O)cc5)cc4)CC3)C2)n1
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| InChI |
InChI=1S/C34H43N3O5.2ClH/c1-25-22-35-26(2)33(36-25)40-19-13-28-14-20-42-34(21-28)15-17-37(18-16-34)23-29-3-5-30(6-4-29)24-41-31-10-7-27(8-11-31)9-12-32(38)39;;/h3-8,10-11,22,28H,9,12-21,23-24H2,1-2H3,(H,38,39);2*1H
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| InChIKey |
XIBWYNWMSDTJDI-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