General Information of the Compound
| Compound ID |
CP0087726
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| Compound Name |
2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C24H28N6O2
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| Molecular Weight |
432.528
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| Canonical SMILES |
Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C1CCC1
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| InChI |
InChI=1S/C24H28N6O2/c1-14-10-16(11-19-15(2)26-27-20(14)19)23(32)29-8-6-24(7-9-29)12-17-13-30(18-4-3-5-18)28-21(17)22(31)25-24/h10-11,13,18H,3-9,12H2,1-2H3,(H,25,31)(H,26,27)
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| InChIKey |
XWOUDZDOYRSZQK-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