General Information of the Compound
| Compound ID |
CP0754410
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| Compound Name |
tert-butyl 2-(5-methyl-1-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)-2,6-diazaspiro[4.5]decane-6-carboxylate
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| Structure |
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| Formula |
C24H30N6O4S
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| Molecular Weight |
498.609
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CCCCN3C(=O)OC(C)(C)C)C2)cnn1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H30N6O4S/c1-15-16(13-25-30(15)21-26-17-7-12-35-18(17)19(31)27-21)20(32)28-11-9-24(14-28)8-5-6-10-29(24)22(33)34-23(2,3)4/h7,12-13H,5-6,8-11,14H2,1-4H3,(H,26,27,31)
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| InChIKey |
WPGSUXRZSVCCIZ-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