General Information of the Compound
| Compound ID |
CP0462823
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| Compound Name |
N-(2-hydroxy-2-pyridin-3-ylethyl)-6-(5-methylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C26H30N6O3
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| Molecular Weight |
474.565
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| Canonical SMILES |
CN1CCC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2cccnc2)Oc2ccccc12
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| InChI |
InChI=1S/C26H30N6O3/c1-31-14-10-26(35-23-7-3-2-6-21(23)31)11-15-32(16-12-26)24-9-8-20(29-30-24)25(34)28-18-22(33)19-5-4-13-27-17-19/h2-9,13,17,22,33H,10-12,14-16,18H2,1H3,(H,28,34)
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| InChIKey |
PFEGOQVRJUBECN-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