General Information of the Compound
| Compound ID |
CP0497229
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| Compound Name |
CHEMBL166252
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| Formula |
C19H28N6S
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| Molecular Weight |
372.542
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| Canonical SMILES |
C(CN1CCN(CC1)c1nccs1)[C@H]1CC[C@@H](CC1)Nc1ncccn1
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| InChI |
InChI=1S/C19H28N6S/c1-7-20-18(21-8-1)23-17-4-2-16(3-5-17)6-10-24-11-13-25(14-12-24)19-22-9-15-26-19/h1,7-9,15-17H,2-6,10-14H2,(H,20,21,23)/t16-,17-
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| InChIKey |
MTQWOJOFKUQLJW-QAQDUYKDSA-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