General Information of the Compound
| Compound ID |
CP0466443
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| Compound Name |
2-[4-[2-(azepan-1-yl)ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
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| Structure |
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| Formula |
C30H33NO4
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| Molecular Weight |
471.597
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| Canonical SMILES |
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCCCCC2)cc1)c1cccc(O)c1
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| InChI |
InChI=1S/C30H33NO4/c1-21-27-20-25(33)11-14-28(27)35-30(29(21)23-7-6-8-24(32)19-23)22-9-12-26(13-10-22)34-18-17-31-15-4-2-3-5-16-31/h6-14,19-20,30,32-33H,2-5,15-18H2,1H3
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| InChIKey |
HMKIDPBXOANVOR-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