General Information of the Compound
| Compound ID |
CP0397266
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| Compound Name |
CHEMBL2414751
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| Formula |
C26H33N5O3
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| Molecular Weight |
463.582
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| Canonical SMILES |
Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(=O)NC4CCCC4)CC3)C(=O)c12
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| InChI |
InChI=1S/C26H33N5O3/c27-24-23-25(29-16-28-24)34-14-13-31(26(23)33)21-11-9-19(10-12-21)18-7-5-17(6-8-18)15-22(32)30-20-3-1-2-4-20/h9-12,16-18,20H,1-8,13-15H2,(H,30,32)(H2,27,28,29)/t17-,18-
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| InChIKey |
LRYCTAVSXCGHRE-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