General Information of the Compound
| Compound ID |
CP0843618
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| Compound Name |
4-(4,4,7-trimethyl-8-nitrochroman-6-carbonyl)benzoic acid
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| Structure |
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| Formula |
C20H19NO6
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| Molecular Weight |
369.373
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| Canonical SMILES |
Cc1c(C(=O)c2ccc(C(=O)O)cc2)cc2c(c1[N+](=O)[O-])OCCC2(C)C
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| InChI |
InChI=1S/C20H19NO6/c1-11-14(17(22)12-4-6-13(7-5-12)19(23)24)10-15-18(16(11)21(25)26)27-9-8-20(15,2)3/h4-7,10H,8-9H2,1-3H3,(H,23,24)
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| InChIKey |
FPFAOKKOOPQSOB-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