General Information of the Compound
| Compound ID |
CP0566041
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| Compound Name |
6-(5-Ethyl-4,5-dihydro-1'H,3H-spiro[1,5-benzoxazepine-2,4'-piperidin]-1'-yl)-N-(2-hydroxy-2-pyridin-3-ylethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C27H32N6O3
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| Molecular Weight |
488.592
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| Canonical SMILES |
CCN1CCC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2cccnc2)Oc2ccccc12
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| InChI |
InChI=1S/C27H32N6O3/c1-2-32-15-11-27(36-24-8-4-3-7-22(24)32)12-16-33(17-13-27)25-10-9-21(30-31-25)26(35)29-19-23(34)20-6-5-14-28-18-20/h3-10,14,18,23,34H,2,11-13,15-17,19H2,1H3,(H,29,35)
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| InChIKey |
CYOSOQNLLDMDAG-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