General Information of the Compound
| Compound ID |
CP0545025
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| Compound Name |
tert-butyl 6-methyl-7-(7-methyl-1H-indazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
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| Structure |
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| Formula |
C22H30N4O3
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| Molecular Weight |
398.507
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| Canonical SMILES |
CC1CC2(CN(C2)C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C)c2[nH]ncc2c1
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| InChI |
InChI=1S/C22H30N4O3/c1-14-8-16(9-17-11-23-24-18(14)17)19(27)26-7-6-22(10-15(26)2)12-25(13-22)20(28)29-21(3,4)5/h8-9,11,15H,6-7,10,12-13H2,1-5H3,(H,23,24)
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| InChIKey |
GWCIKWDAOJYGQQ-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