General Information of the Compound
| Compound ID |
CP0330777
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| Compound Name |
(2S,3R)-3-cyclopropyl-3-[3-[[(1R)-5-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C29H29FO4
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| Molecular Weight |
460.545
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1
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| InChI |
InChI=1S/C29H29FO4/c1-17(29(31)32)28(18-6-7-18)21-4-3-5-23(15-21)34-27-13-9-19-14-20(8-11-24(19)27)25-16-22(33-2)10-12-26(25)30/h3-5,8,10-12,14-18,27-28H,6-7,9,13H2,1-2H3,(H,31,32)/t17-,27+,28-/m0/s1
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| InChIKey |
ZKPORIQWWQUQHA-ROXWKXMQSA-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