General Information of the Compound
| Compound ID |
CP0484345
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| Compound Name |
2-tert-butyl-1'-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C32H34N4O5
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| Molecular Weight |
554.647
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1
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| InChI |
InChI=1S/C32H34N4O5/c1-31(2,3)36-19-28-29(34-36)25(37)18-32(41-28)12-14-35(15-13-32)30(38)22-17-24(33-23-9-7-6-8-21(22)23)20-10-11-26(39-4)27(16-20)40-5/h6-11,16-17,19H,12-15,18H2,1-5H3
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| InChIKey |
RCFOZHUZCCYHRD-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