General Information of the Compound
| Compound ID |
CP0579912
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| Compound Name |
D3RKN_83
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| Structure |
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| Formula |
C23H25N7O
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| Molecular Weight |
415.501
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| Canonical SMILES |
Cc1n[nH]c2cc(Nc3ccnc(Nc4cccc(CN5CCOCC5)c4)n3)ccc12
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| InChI |
InChI=1S/C23H25N7O/c1-16-20-6-5-19(14-21(20)29-28-16)25-22-7-8-24-23(27-22)26-18-4-2-3-17(13-18)15-30-9-11-31-12-10-30/h2-8,13-14H,9-12,15H2,1H3,(H,28,29)(H2,24,25,26,27)
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| InChIKey |
OXGLMNZWQZATBE-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