General Information of the Compound
| Compound ID |
CP0503010
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| Compound Name |
1'-(7-ethoxy-3-ethyl-2H-indazole-5-carbonyl)-2-ethyl-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C25H31N5O4
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| Molecular Weight |
465.554
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| Canonical SMILES |
CCOc1cc(cc2c(CC)n[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2
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| InChI |
InChI=1S/C25H31N5O4/c1-5-18-17-12-16(13-20(33-7-3)21(17)27-26-18)24(32)29-10-8-25(9-11-29)14-19(31)22-23(34-25)15(4)30(6-2)28-22/h12-13H,5-11,14H2,1-4H3,(H,26,27)
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| InChIKey |
KVIDGDZPLJQYIN-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