General Information of the Compound
| Compound ID |
CP0456851
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| Compound Name |
CHEMBL3739647
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| Formula |
C23H32N4O2
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| Molecular Weight |
396.535
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| Canonical SMILES |
CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(CC4CCOCC4)C[C@H]23)c2ccccn12
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| InChI |
InChI=1S/C23H32N4O2/c1-15(2)22-25-21(20-5-3-4-8-27(20)22)23(28)24-11-17-18-13-26(14-19(17)18)12-16-6-9-29-10-7-16/h3-5,8,15-19H,6-7,9-14H2,1-2H3,(H,24,28)/t17-,18-,19+
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| InChIKey |
BTPYWLNGWXJQDI-LDLYASANSA-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