General Information of the Compound
| Compound ID |
CP0420212
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| Compound Name |
3-[(5-tert-butyl-2-methyl-1-propylpyrrole-3-carbonyl)amino]-3-(2-nitrophenyl)propanoic acid
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| Structure |
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| Formula |
C22H29N3O5
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| Molecular Weight |
415.49
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| Canonical SMILES |
CCCn1c(C)c(cc1C(C)(C)C)C(=O)NC(CC(O)=O)c1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C22H29N3O5/c1-6-11-24-14(2)16(12-19(24)22(3,4)5)21(28)23-17(13-20(26)27)15-9-7-8-10-18(15)25(29)30/h7-10,12,17H,6,11,13H2,1-5H3,(H,23,28)(H,26,27)
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| InChIKey |
QKBGNKYRVAGQBM-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