General Information of the Compound
| Compound ID |
CP0455825
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| Compound Name |
2-[4-[2-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
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| Structure |
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| Formula |
C29H30FNO4
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| Molecular Weight |
475.56
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| Canonical SMILES |
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CCC[C@H]2CF)cc1)c1cccc(O)c1
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| InChI |
InChI=1S/C29H30FNO4/c1-19-26-17-24(33)9-12-27(26)35-29(28(19)21-4-2-6-23(32)16-21)20-7-10-25(11-8-20)34-15-14-31-13-3-5-22(31)18-30/h2,4,6-12,16-17,22,29,32-33H,3,5,13-15,18H2,1H3/t22-,29?/m0/s1
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| InChIKey |
CULYWDBTIVRURV-RBQQCVMASA-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