General Information of the Compound
| Compound ID |
CP0557323
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| Compound Name |
CHEMBL3361197
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| Formula |
C26H31N5O2
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| Molecular Weight |
445.567
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| Canonical SMILES |
COc1ccccc1CNc1cc(nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1)-c1ccccc1
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| InChI |
InChI=1S/C26H31N5O2/c1-33-23-10-6-5-9-21(23)17-28-24-15-22(19-7-3-2-4-8-19)30-26(31-24)29-16-18-11-13-20(14-12-18)25(27)32/h2-10,15,18,20H,11-14,16-17H2,1H3,(H2,27,32)(H2,28,29,30,31)/t18-,20-
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| InChIKey |
OGEBNCUUWACNHB-KESTWPANSA-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