General Information of the Compound
| Compound ID |
CP0120733
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| Compound Name |
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]-2-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]acetamide
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| Structure |
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| Formula |
C28H35N9O3S
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| Molecular Weight |
577.715
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| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCN4CCOCC4)cc3)nn3cccc23)n[nH]1
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| InChI |
InChI=1S/C28H35N9O3S/c1-20-17-25(33-32-20)30-27-24-3-2-9-37(24)34-28(31-27)41-23-6-4-21(5-7-23)29-26(38)19-36-10-8-22(18-36)40-16-13-35-11-14-39-15-12-35/h2-7,9,17,22H,8,10-16,18-19H2,1H3,(H,29,38)(H2,30,31,32,33,34)/t22-/m1/s1
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| InChIKey |
STTWKDVRVDYNAH-JOCHJYFZSA-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