General Information of the Compound
| Compound ID |
CP0560613
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| Compound Name |
US8653125, Ia-32
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| Formula |
C21H24N4O5
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| Molecular Weight |
412.446
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| Canonical SMILES |
CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)NC(=O)c3ccon3)cc2oc1=O
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| InChI |
InChI=1S/C21H24N4O5/c1-12(2)25-17-8-7-15(11-18(17)30-21(25)28)23-19(26)13-3-5-14(6-4-13)22-20(27)16-9-10-29-24-16/h7-14H,3-6H2,1-2H3,(H,22,27)(H,23,26)/t13-,14+
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| InChIKey |
PPQMXAXIRZKXHE-OKILXGFUSA-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