General Information of the Compound
| Compound ID |
CP0524471
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| Compound Name |
N-(2-hydroxy-2-pyridin-3-ylethyl)-6-(5-propan-2-ylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C28H34N6O3
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| Molecular Weight |
502.619
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| Canonical SMILES |
CC(C)N1CCC2(CCN(CC2)c2ccc(nn2)C(=O)NCC(O)c2cccnc2)Oc2ccccc12
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| InChI |
InChI=1S/C28H34N6O3/c1-20(2)34-17-13-28(37-25-8-4-3-7-23(25)34)11-15-33(16-12-28)26-10-9-22(31-32-26)27(36)30-19-24(35)21-6-5-14-29-18-21/h3-10,14,18,20,24,35H,11-13,15-17,19H2,1-2H3,(H,30,36)
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| InChIKey |
PZKBKFUOXSPSOT-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