General Information of the Compound
| Compound ID |
CP0035296
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| Compound Name |
CHEMBL392284
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| Formula |
C26H29N5O
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| Molecular Weight |
427.552
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| Canonical SMILES |
NC[C@H]1CC[C@@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12
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| InChI |
InChI=1S/C26H29N5O/c27-16-18-9-11-20(12-10-18)26-30-23(24-25(28)29-13-14-31(24)26)21-7-4-8-22(15-21)32-17-19-5-2-1-3-6-19/h1-8,13-15,18,20H,9-12,16-17,27H2,(H2,28,29)/t18-,20-
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| InChIKey |
RIVRPRJLXIRWBM-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