General Information of the Compound
| Compound ID |
CP0955168
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| Compound Name |
(S)-2-(4-(3-((2-chlorothiazol-5-yl)methoxy)pyrrolidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C19H18ClN7O3S
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| Molecular Weight |
459.919
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| Canonical SMILES |
Cc1c(C(=O)N2CC[C@H](OCc3cnc(Cl)s3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H18ClN7O3S/c1-11-14(8-22-27(11)19-23-16(28)15-3-2-5-26(15)24-19)17(29)25-6-4-12(9-25)30-10-13-7-21-18(20)31-13/h2-3,5,7-8,12H,4,6,9-10H2,1H3,(H,23,24,28)/t12-/m0/s1
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| InChIKey |
RFNQXVUUASQVAI-LBPRGKRZSA-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