General Information of the Compound
| Compound ID |
CP0550839
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| Compound Name |
CHEMBL3361229
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| Formula |
C23H27N5O2
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| Molecular Weight |
405.502
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| Canonical SMILES |
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccoc2)CC1
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| InChI |
InChI=1S/C23H27N5O2/c24-22(29)18-8-6-17(7-9-18)14-26-23-27-20(19-10-11-30-15-19)12-21(28-23)25-13-16-4-2-1-3-5-16/h1-5,10-12,15,17-18H,6-9,13-14H2,(H2,24,29)(H2,25,26,27,28)/t17-,18-
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| InChIKey |
WYUNISRVGSTYKL-IYARVYRRSA-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