General Information of the Compound
| Compound ID |
CP0435377
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| Compound Name |
3-(3-fluorophenyl)-4-methyl-2-[4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]phenyl]-2H-chromen-6-ol
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| Structure |
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| Formula |
C30H32FNO3
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| Molecular Weight |
473.588
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| Canonical SMILES |
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(F)c1)N1CC[C@@H](C)C1
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| InChI |
InChI=1S/C30H32FNO3/c1-19-13-14-32(17-19)20(2)18-34-26-10-7-22(8-11-26)30-29(23-5-4-6-24(31)15-23)21(3)27-16-25(33)9-12-28(27)35-30/h4-12,15-16,19-20,30,33H,13-14,17-18H2,1-3H3/t19-,20+,30?/m1/s1
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| InChIKey |
DWPZKCFJJCNVIW-PGJZWCTDSA-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