General Information of the Compound
| Compound ID |
CP0373565
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| Compound Name |
N-(2-hydroxy-2-pyridin-2-ylethyl)-6-[4-(2-methylbenzoyl)piperidin-1-yl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C25H27N5O3
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| Molecular Weight |
445.523
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| Canonical SMILES |
Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccn1
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| InChI |
InChI=1S/C25H27N5O3/c1-17-6-2-3-7-19(17)24(32)18-11-14-30(15-12-18)23-10-9-21(28-29-23)25(33)27-16-22(31)20-8-4-5-13-26-20/h2-10,13,18,22,31H,11-12,14-16H2,1H3,(H,27,33)
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| InChIKey |
UVBXNVJUKVHGQV-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