General Information of the Compound
| Compound ID |
CP0475624
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| Compound Name |
1-[(6-chloro-2-propan-2-ylindolizin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C17H18ClN3O2
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| Molecular Weight |
331.803
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| Canonical SMILES |
CC(C)c1cc2c(Cn3nc(cc3C)C(O)=O)cc(Cl)cn2c1
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| InChI |
InChI=1S/C17H18ClN3O2/c1-10(2)12-6-16-13(5-14(18)9-20(16)7-12)8-21-11(3)4-15(19-21)17(22)23/h4-7,9-10H,8H2,1-3H3,(H,22,23)
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| InChIKey |
KNANMUISOHVWLU-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