General Information of the Compound
| Compound ID |
CP0235848
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| Compound Name |
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(2-pyrrolidin-1-ylacetyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C26H29N9O2S
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| Molecular Weight |
531.646
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| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)[nH]n1
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| InChI |
InChI=1S/C26H29N9O2S/c1-16-12-22(32-31-16)29-24-21-13-19(27-23(36)15-34-10-2-3-11-34)14-35(21)33-26(30-24)38-20-8-6-18(7-9-20)28-25(37)17-4-5-17/h6-9,12-14,17H,2-5,10-11,15H2,1H3,(H,27,36)(H,28,37)(H2,29,30,31,32,33)
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| InChIKey |
QFOMGFNHXREHSV-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