General Information of the Compound
Compound ID |
CP0203396
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Compound Name |
2-[(3S,4S)-3-(cyclopropylmethoxy)-4-hydroxypyrrolidin-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 |
C26H30N8O3S
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Molecular Weight |
534.646
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Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OCC4CC4)cc3)nn3cccc23)n[nH]1
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InChI |
InChI=1S/C26H30N8O3S/c1-16-11-23(31-30-16)28-25-20-3-2-10-34(20)32-26(29-25)38-19-8-6-18(7-9-19)27-24(36)14-33-12-21(35)22(13-33)37-15-17-4-5-17/h2-3,6-11,17,21-22,35H,4-5,12-15H2,1H3,(H,27,36)(H2,28,29,30,31,32)/t21-,22-/m0/s1
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InChIKey |
XQBLYDOGTIKRAE-VXKWHMMOSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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