General Information of the Compound
| Compound ID |
CP0086380
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| Compound Name |
CHEMBL2392484
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| Formula |
C18H24N6O
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| Molecular Weight |
340.431
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| Canonical SMILES |
CC(C)CC(=O)N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C18H24N6O/c1-11(2)9-16(25)21-12-3-5-13(6-4-12)24-17-14-7-8-19-18(14)20-10-15(17)22-23-24/h7-8,10-13H,3-6,9H2,1-2H3,(H,19,20)(H,21,25)/t12-,13-
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| InChIKey |
KBIOXAMJWIQCDK-JOCQHMNTSA-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