General Information of the Compound
| Compound ID |
CP0406221
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| Compound Name |
(3S)-3-cyclopropyl-3-[2-[[4-(5-fluoro-2-methoxypyridin-4-yl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]pyridin-4-yl]propanoic acid
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| Structure |
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| Formula |
C30H35FN2O5
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| Molecular Weight |
522.617
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| Canonical SMILES |
CO[C@@H](c1cc(COc2cc(ccn2)[C@@H](CC(O)=O)C2CC2)ccc1-c1cc(OC)ncc1F)C(C)(C)C
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| InChI |
InChI=1S/C30H35FN2O5/c1-30(2,3)29(37-5)24-12-18(6-9-21(24)23-14-26(36-4)33-16-25(23)31)17-38-27-13-20(10-11-32-27)22(15-28(34)35)19-7-8-19/h6,9-14,16,19,22,29H,7-8,15,17H2,1-5H3,(H,34,35)/t22-,29-/m0/s1
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| InChIKey |
RZTLKFPSCIVFLI-ZTOMLWHTSA-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