General Information of the Compound
| Compound ID |
CP0281948
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| Compound Name |
2-(2,2-dimethyl-6-(4-nitrophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acetic acid
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| Structure |
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| Formula |
C23H22N2O4
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| Molecular Weight |
390.439
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| Canonical SMILES |
CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
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| InChI |
InChI=1S/C23H22N2O4/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(18(12-20(26)27)24(19)14-23)16-8-10-17(11-9-16)25(28)29/h3-11H,12-14H2,1-2H3,(H,26,27)
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| InChIKey |
VYMSMZLVFCEANQ-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