General Information of the Compound
| Compound ID |
CP0435374
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| Compound Name |
3-(3-hydroxyphenyl)-4-methyl-2-[4-[(2S)-2-piperidin-1-ylpropoxy]phenyl]-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 |
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCCC1
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| InChI |
InChI=1S/C30H33NO4/c1-20(31-15-4-3-5-16-31)19-34-26-12-9-22(10-13-26)30-29(23-7-6-8-24(32)17-23)21(2)27-18-25(33)11-14-28(27)35-30/h6-14,17-18,20,30,32-33H,3-5,15-16,19H2,1-2H3/t20-,30?/m0/s1
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| InChIKey |
ZMMPPCWVFJVHTL-JGZNSJETSA-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