General Information of the Compound
| Compound ID |
CP0429688
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| Compound Name |
CHEMBL3740612
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| Formula |
C22H30N4O2
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| Molecular Weight |
382.508
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| Canonical SMILES |
CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(C[C@H]23)C2CCOCC2)c2ccccn12
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| InChI |
InChI=1S/C22H30N4O2/c1-14(2)21-24-20(19-5-3-4-8-26(19)21)22(27)23-11-16-17-12-25(13-18(16)17)15-6-9-28-10-7-15/h3-5,8,14-18H,6-7,9-13H2,1-2H3,(H,23,27)/t16-,17-,18+
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| InChIKey |
UCBJHEUKRGTDHV-NNZMDNLPSA-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