General Information of the Compound
| Compound ID |
CP0087504
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| Compound Name |
(3R)-1-[2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylanilino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C29H36N10O3S
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| Molecular Weight |
604.741
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| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NCCN4CCOCC4)cc3)nn3cccc23)n[nH]1
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| InChI |
InChI=1S/C29H36N10O3S/c1-20-17-25(35-34-20)32-27-24-3-2-10-39(24)36-29(33-27)43-23-6-4-22(5-7-23)31-26(40)19-38-11-8-21(18-38)28(41)30-9-12-37-13-15-42-16-14-37/h2-7,10,17,21H,8-9,11-16,18-19H2,1H3,(H,30,41)(H,31,40)(H2,32,33,34,35,36)/t21-/m1/s1
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| InChIKey |
UVNLAMSMBMXIJB-OAQYLSRUSA-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