General Information of the Compound
| Compound ID |
CP0235846
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| Compound Name |
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-piperidin-1-ylpropanoylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C28H33N9O2S
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| Molecular Weight |
559.7
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| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CCN4CCCCC4)cc23)[nH]n1
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| InChI |
InChI=1S/C28H33N9O2S/c1-18-15-24(34-33-18)31-26-23-16-21(29-25(38)11-14-36-12-3-2-4-13-36)17-37(23)35-28(32-26)40-22-9-7-20(8-10-22)30-27(39)19-5-6-19/h7-10,15-17,19H,2-6,11-14H2,1H3,(H,29,38)(H,30,39)(H2,31,32,33,34,35)
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| InChIKey |
UNGUWAMCUZJLAS-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