General Information of the Compound
| Compound ID |
CP0962087
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| Compound Name |
tert-butyl 2-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[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 |
C25H34N6O4
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| Molecular Weight |
482.585
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CCCCN3C(=O)OC(C)(C)C)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C25H34N6O4/c1-16-18(14-26-31(16)22-27-19-9-7-8-17(19)20(32)28-22)21(33)29-13-11-25(15-29)10-5-6-12-30(25)23(34)35-24(2,3)4/h14H,5-13,15H2,1-4H3,(H,27,28,32)
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| InChIKey |
WXITUPGMPCESGK-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