General Information of the Compound
| Compound ID |
CP0548417
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| Compound Name |
7-oxa-13,18,20,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(19),2(22),3,5,14(21),15,17-heptaene
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| Structure |
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| Formula |
C17H18N4O
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| Molecular Weight |
294.358
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| Canonical SMILES |
C1CCNc2ccc3ncc(-c4cccc(OCC1)c4)n3n2
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| InChI |
InChI=1S/C17H18N4O/c1-2-9-18-16-7-8-17-19-12-15(21(17)20-16)13-5-4-6-14(11-13)22-10-3-1/h4-8,11-12H,1-3,9-10H2,(H,18,20)
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| InChIKey |
SUUOJCKRZPQUHP-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