General Information of the Compound
| Compound ID |
CP0504607
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| Compound Name |
N-(2-hydroxy-2-pyridin-3-ylethyl)-6-(5-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C26H29N5O3
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| Molecular Weight |
459.55
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| Canonical SMILES |
Cc1cccc2OC3(CCN(CC3)c3ccc(nn3)C(=O)NCC(O)c3cccnc3)CCc12
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| InChI |
InChI=1S/C26H29N5O3/c1-18-4-2-6-23-20(18)9-10-26(34-23)11-14-31(15-12-26)24-8-7-21(29-30-24)25(33)28-17-22(32)19-5-3-13-27-16-19/h2-8,13,16,22,32H,9-12,14-15,17H2,1H3,(H,28,33)
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| InChIKey |
JRWYOUUHSXSYPM-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