General Information of the Compound
| Compound ID |
CP0288446
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| Compound Name |
CHEMBL411074
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| Formula |
C30H30N6O
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| Molecular Weight |
490.611
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCOCC2)C1
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| InChI |
InChI=1S/C30H30N6O/c31-29-28-27(23-7-6-22-8-9-25(33-26(22)18-23)21-4-2-1-3-5-21)34-30(36(28)11-10-32-29)24-16-20(17-24)19-35-12-14-37-15-13-35/h1-11,18,20,24H,12-17,19H2,(H2,31,32)/t20-,24+
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| InChIKey |
PQOGAQAOZACONT-RZJSWYKGSA-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