General Information of the Compound
| Compound ID |
CP0492303
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| Compound Name |
CHEMBL4741178
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
C1C[C@@H](CC[C@H]1Oc1ccccn1)c1nnc2CCCc3ccccc3-n12
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| InChI |
InChI=1S/C22H24N4O/c1-2-8-19-16(6-1)7-5-9-20-24-25-22(26(19)20)17-11-13-18(14-12-17)27-21-10-3-4-15-23-21/h1-4,6,8,10,15,17-18H,5,7,9,11-14H2/t17-,18-
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| InChIKey |
WUXQOEQYTXKHJH-IYARVYRRSA-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