General Information of the Compound
| Compound ID |
CP0498561
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| Compound Name |
1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-3-methyl-2-(oxolan-3-yl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C25H29N5O4
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| Molecular Weight |
463.538
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| Canonical SMILES |
Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(C3CCOC3)c(C)c1O2
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| InChI |
InChI=1S/C25H29N5O4/c1-14-10-17(11-19-15(2)26-27-21(14)19)24(32)29-7-5-25(6-8-29)12-20(31)22-23(34-25)16(3)30(28-22)18-4-9-33-13-18/h10-11,18H,4-9,12-13H2,1-3H3,(H,26,27)
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| InChIKey |
ILHUCAITHSMZFT-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