General Information of the Compound
| Compound ID |
CP0482651
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| Compound Name |
CHEMBL3426193
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| Formula |
C20H23N5OS
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| Molecular Weight |
381.505
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| Canonical SMILES |
CCNC(=O)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
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| InChI |
InChI=1S/C20H23N5OS/c1-2-22-20(26)13-3-6-15(7-4-13)25-19-16-9-14(18-10-21-12-27-18)5-8-17(16)23-11-24-19/h5,8-13,15H,2-4,6-7H2,1H3,(H,22,26)(H,23,24,25)/t13-,15-
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| InChIKey |
CDXXZIOUJHVQMO-CTYIDZIISA-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