General Information of the Compound
| Compound ID |
CP0474706
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| Compound Name |
4-methyl-2-[4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]phenyl]-3-(3-methylsulfonylphenyl)-2H-chromen-6-ol
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| Structure |
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| Formula |
C31H35NO5S
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| Molecular Weight |
533.69
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| Canonical SMILES |
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(c1)S(C)(=O)=O)N1CC[C@@H](C)C1
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| InChI |
InChI=1S/C31H35NO5S/c1-20-14-15-32(18-20)21(2)19-36-26-11-8-23(9-12-26)31-30(24-6-5-7-27(16-24)38(4,34)35)22(3)28-17-25(33)10-13-29(28)37-31/h5-13,16-17,20-21,31,33H,14-15,18-19H2,1-4H3/t20-,21+,31?/m1/s1
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| InChIKey |
MXBBPIJEMQRQDA-JDLBOKMSSA-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