General Information of the Compound
| Compound ID |
CP0456204
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| Compound Name |
CHEMBL2414698
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| Formula |
C21H24N8O2
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| Molecular Weight |
420.477
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| Canonical SMILES |
Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](Cc4nnn[nH]4)CC3)C(=O)c12
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| InChI |
InChI=1S/C21H24N8O2/c22-19-18-20(24-12-23-19)31-10-9-29(21(18)30)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17-25-27-28-26-17/h5-8,12-14H,1-4,9-11H2,(H2,22,23,24)(H,25,26,27,28)/t13-,14-
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| InChIKey |
IBRWLUSJPIEFEC-HDJSIYSDSA-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