General Information of the Compound
| Compound ID |
CP0549786
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| Compound Name |
CHEMBL4080574
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| Formula |
C23H34N6O2
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| Molecular Weight |
426.565
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| Canonical SMILES |
CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12
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| InChI |
InChI=1S/C23H34N6O2/c1-16(30)28-8-10-29(11-9-28)19-4-2-18(3-5-19)27-23-21-20(17-6-12-31-13-7-17)14-24-22(21)25-15-26-23/h14-15,17-19H,2-13H2,1H3,(H2,24,25,26,27)/t18-,19-
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| InChIKey |
PVSBYQGOQMKGRO-WGSAOQKQSA-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