General Information of the Compound
| Compound ID |
CP0726242
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| Compound Name |
2-(5-methyl-4-(8-azaspiro[4.5]decane-8-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C20H23N5O2S
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| Molecular Weight |
397.504
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CCCC3)CC2)cnn1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H23N5O2S/c1-13-14(18(27)24-9-7-20(8-10-24)5-2-3-6-20)12-21-25(13)19-22-15-4-11-28-16(15)17(26)23-19/h4,11-12H,2-3,5-10H2,1H3,(H,22,23,26)
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| InChIKey |
FHVAUTBDVPXYKO-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