General Information of the Compound
| Compound ID |
CP0403613
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| Compound Name |
2-tert-butyl-1'-(7-methyl-3H-benzimidazole-5-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C23H27N5O3
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| Molecular Weight |
421.501
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| Canonical SMILES |
Cc1cc(cc2[nH]cnc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
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| InChI |
InChI=1S/C23H27N5O3/c1-14-9-15(10-16-19(14)25-13-24-16)21(30)27-7-5-23(6-8-27)11-17(29)20-18(31-23)12-28(26-20)22(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)
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| InChIKey |
PKMRYIWYGLMGNW-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