General Information of the Compound
| Compound ID |
CP0049604
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| Compound Name |
2,2,4-Trimethyl-6-(3-nitro-phenyl)-1,2-dihydro-quinoline
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| Structure |
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| Formula |
C18H18N2O2
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| Molecular Weight |
294.354
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc(cc12)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H18N2O2/c1-12-11-18(2,3)19-17-8-7-14(10-16(12)17)13-5-4-6-15(9-13)20(21)22/h4-11,19H,1-3H3
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| InChIKey |
RPMPNSIAJLJJTG-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
Protein ID: PT01172, Progesterone receptor