General Information of the Compound
| Compound ID |
CP0383052
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| Compound Name |
6-(5-chlorospiro[chroman-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-(pyridin-3-yl)ethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C25H26ClN5O3
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| Molecular Weight |
479.968
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| Canonical SMILES |
OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCc1c(Cl)cccc1O2)c1cccnc1
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| InChI |
InChI=1S/C25H26ClN5O3/c26-19-4-1-5-22-18(19)8-9-25(34-22)10-13-31(14-11-25)23-7-6-20(29-30-23)24(33)28-16-21(32)17-3-2-12-27-15-17/h1-7,12,15,21,32H,8-11,13-14,16H2,(H,28,33)
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| InChIKey |
LNGYRMQFDYVKMZ-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