General Information of the Compound
| Compound ID |
CP0506981
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| Compound Name |
2-[6,6-dimethyl-1-phenyl-2-(2,3,4-trichlorophenyl)-5,7-dihydropyrrolizin-3-yl]acetic acid
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| Structure |
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| Formula |
C23H20Cl3NO2
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| Molecular Weight |
448.777
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| Canonical SMILES |
CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)c(Cl)c1Cl)-c1ccccc1
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| InChI |
InChI=1S/C23H20Cl3NO2/c1-23(2)11-17-19(13-6-4-3-5-7-13)20(16(10-18(28)29)27(17)12-23)14-8-9-15(24)22(26)21(14)25/h3-9H,10-12H2,1-2H3,(H,28,29)
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| InChIKey |
QDXKTZSSGBYUBP-UHFFFAOYSA-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