General Information of the Compound
| Compound ID |
CP0510677
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| Compound Name |
1-[2,4-dihydroxy-6-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-methylbutan-1-one;hydrochloride
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| Structure |
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| Formula |
C17H28ClNO5
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| Molecular Weight |
361.866
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| Canonical SMILES |
Cl.CC(C)CC(=O)c1c(O)cc(O)cc1OCC(O)CNC(C)C
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| InChI |
InChI=1S/C17H27NO5.ClH/c1-10(2)5-14(21)17-15(22)6-12(19)7-16(17)23-9-13(20)8-18-11(3)4;/h6-7,10-11,13,18-20,22H,5,8-9H2,1-4H3;1H
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| InChIKey |
YOQTYTHXVCQKCV-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