General Information of the Compound
| Compound ID |
CP0157693
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| Compound Name |
(S)-5-((morpholin-2-ylmethoxy)methyl)-N-(1-(pyridin-3-ylmethyl)-1H-indazol-5-yl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C25H26N8O2
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| Molecular Weight |
470.537
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| Canonical SMILES |
C(OCc1ccn2ncnc(Nc3ccc4n(Cc5cccnc5)ncc4c3)c12)[C@@H]1CNCCO1
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| InChI |
InChI=1S/C25H26N8O2/c1-2-18(11-26-6-1)14-33-23-4-3-21(10-20(23)12-29-33)31-25-24-19(5-8-32(24)30-17-28-25)15-34-16-22-13-27-7-9-35-22/h1-6,8,10-12,17,22,27H,7,9,13-16H2,(H,28,30,31)/t22-/m0/s1
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| InChIKey |
QGTJGYUQPVBUGS-QFIPXVFZSA-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