General Information of the Compound
| Compound ID |
CP0269895
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| Compound Name |
CHEMBL393313
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| Formula |
C29H33N5O
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| Molecular Weight |
467.617
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| Canonical SMILES |
Nc1nccn2c(nc(-c3cccc(OCc4ccccc4)c3)c12)[C@@H]1C[C@H](CN2CCCCC2)C1
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| InChI |
InChI=1S/C29H33N5O/c30-28-27-26(23-10-7-11-25(18-23)35-20-21-8-3-1-4-9-21)32-29(34(27)15-12-31-28)24-16-22(17-24)19-33-13-5-2-6-14-33/h1,3-4,7-12,15,18,22,24H,2,5-6,13-14,16-17,19-20H2,(H2,30,31)/t22-,24+
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| InChIKey |
OSBWXOULBLHPJA-QUPDYRNUSA-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