General Information of the Compound
| Compound ID |
CP0122206
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| Compound Name |
3-amino-7-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methylpyrazol-3-yl]-5-[(2S)-3-methylbutan-2-yl]-1H-pyrazolo[4,3-c]pyridin-4-one
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| Structure |
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| Formula |
C19H27N7O3S
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| Molecular Weight |
433.538
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| Canonical SMILES |
CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O
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| InChI |
InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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| InChIKey |
YUYFNYPOTZWGKF-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