General Information of the Compound
| Compound ID |
CP0726210
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| Compound Name |
2-(4-(1-benzyl-1,7-diazaspiro[4.4]nonane-7-carbonyl)-5-methyl-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C25H26N6O2S
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| Molecular Weight |
474.59
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CCCN3Cc3ccccc3)C2)cnn1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C25H26N6O2S/c1-17-19(14-26-31(17)24-27-20-8-13-34-21(20)22(32)28-24)23(33)29-12-10-25(16-29)9-5-11-30(25)15-18-6-3-2-4-7-18/h2-4,6-8,13-14H,5,9-12,15-16H2,1H3,(H,27,28,32)
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| InChIKey |
WIPJMLWIHWLVNJ-UHFFFAOYSA-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