General Information of the Compound
| Compound ID |
CP0552578
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| Compound Name |
5-[(1S)-1-cyclopropylethyl]-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[(5-ethylsulfonylpyridin-2-yl)methylamino]pyrazino[2,3-c]pyridazin-6-one
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| Structure |
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| Formula |
C27H30N8O4S
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| Molecular Weight |
562.656
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3nnc(cc3n([C@@H](C)C3CC3)c2=O)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C27H30N8O4S/c1-4-40(37,38)19-10-9-18(28-13-19)12-29-25-27(36)35(15(2)16-5-6-16)21-11-20(33-34-24(21)32-25)22-23(17-7-8-17)30-14-31-26(22)39-3/h9-11,13-17H,4-8,12H2,1-3H3,(H,29,32,34)/t15-/m0/s1
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| InChIKey |
IMVXEWSCOJOXTA-HNNXBMFYSA-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