General Information of the Compound
| Compound ID |
CP0486711
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| Compound Name |
CHEMBL4757711
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| Formula |
C21H28N4OS
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| Molecular Weight |
384.549
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| Canonical SMILES |
CC(=O)Nc1ncc(CN2CC[C@]3(C[C@H](Cc4cc(C)nc(C)c4)C3)C2)s1
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| InChI |
InChI=1S/C21H28N4OS/c1-14-6-17(7-15(2)23-14)8-18-9-21(10-18)4-5-25(13-21)12-19-11-22-20(27-19)24-16(3)26/h6-7,11,18H,4-5,8-10,12-13H2,1-3H3,(H,22,24,26)/t18-,21+
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| InChIKey |
RWFOJTPCBVLCHR-RVWIWJKTSA-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