General Information of the Compound
| Compound ID |
CP0389995
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| Compound Name |
(3S)-3-cyclopropyl-3-[2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
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| Structure |
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| Formula |
C28H25F3O4
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| Molecular Weight |
482.498
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| Canonical SMILES |
OC(=O)C[C@@H](C1CC1)c1ccc2CCC(Oc2c1)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C28H25F3O4/c29-28(30,31)35-23-3-1-2-21(14-23)17-4-8-19(9-5-17)25-13-12-20-10-11-22(15-26(20)34-25)24(16-27(32)33)18-6-7-18/h1-5,8-11,14-15,18,24-25H,6-7,12-13,16H2,(H,32,33)/t24-,25?/m0/s1
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| InChIKey |
HCBSOPSDBXRIII-SKCDSABHSA-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