General Information of the Compound
| Compound ID |
CP0315637
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| Compound Name |
CHEMBL437558
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| Formula |
C28H31N5O
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| Molecular Weight |
453.59
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| Canonical SMILES |
Nc1nccn2c(nc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@H](CN2CCCC2)C1
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| InChI |
InChI=1S/C28H31N5O/c29-27-26-25(22-9-6-10-24(17-22)34-19-20-7-2-1-3-8-20)31-28(33(26)14-11-30-27)23-15-21(16-23)18-32-12-4-5-13-32/h1-3,6-11,14,17,21,23H,4-5,12-13,15-16,18-19H2,(H2,29,30)/t21-,23-
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| InChIKey |
CQFVDHNTTRWVQD-AFARHQOCSA-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