General Information of the Compound
| Compound ID |
CP0466442
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| Compound Name |
3-(3-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-chromen-6-ol
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| Structure |
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| Formula |
C28H29NO4
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| Molecular Weight |
443.543
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| Canonical SMILES |
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCCC2)cc1)c1cccc(O)c1
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| InChI |
InChI=1S/C28H29NO4/c1-19-25-18-23(31)9-12-26(25)33-28(27(19)21-5-4-6-22(30)17-21)20-7-10-24(11-8-20)32-16-15-29-13-2-3-14-29/h4-12,17-18,28,30-31H,2-3,13-16H2,1H3
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| InChIKey |
BXELTYHMSOUBBI-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