General Information of the Compound
| Compound ID |
CP0022291
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| Compound Name |
N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
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| Structure |
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| Formula |
C22H24N6O
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| Molecular Weight |
388.475
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| Canonical SMILES |
CC(=O)NCCNc1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1
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| InChI |
InChI=1S/C22H24N6O/c1-15(29)23-9-10-24-19-7-8-21-20(12-19)22(27-26-21)11-16-3-5-17(6-4-16)18-13-25-28(2)14-18/h3-8,12-14,24H,9-11H2,1-2H3,(H,23,29)(H,26,27)
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| InChIKey |
CISPMBXZQNYLKC-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