General Information of the Compound
| Compound ID |
CP0434262
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| Compound Name |
(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(4-hydroxycyclohexyl)-4-methyl-2H-chromen-6-ol
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| Structure |
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| Formula |
C28H34FNO4
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| Molecular Weight |
467.581
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| Canonical SMILES |
CC1=C(C2CCC(O)CC2)[C@@H](Oc2ccc(O)cc12)c1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C28H34FNO4/c1-18-25-14-23(32)8-11-26(25)34-28(27(18)20-2-6-22(31)7-3-20)21-4-9-24(10-5-21)33-13-12-30-16-19(15-29)17-30/h4-5,8-11,14,19-20,22,28,31-32H,2-3,6-7,12-13,15-17H2,1H3/t20?,22?,28-/m0/s1
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| InChIKey |
PYGRGHWGZMRIBC-FEPYILBSSA-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