General Information of the Compound
| Compound ID |
CP0299340
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| Compound Name |
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]acetamide
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| Structure |
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| Formula |
C23H26N8O2S
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| Molecular Weight |
478.582
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| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC[C@H]4CO)cc3)nn3cccc23)n[nH]1
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| InChI |
InChI=1S/C23H26N8O2S/c1-15-12-20(28-27-15)25-22-19-5-3-11-31(19)29-23(26-22)34-18-8-6-16(7-9-18)24-21(33)13-30-10-2-4-17(30)14-32/h3,5-9,11-12,17,32H,2,4,10,13-14H2,1H3,(H,24,33)(H2,25,26,27,28,29)/t17-/m0/s1
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| InChIKey |
HOCURELMRBRHRJ-KRWDZBQOSA-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