General Information of the Compound
| Compound ID |
CP0522518
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| Compound Name |
CHEMBL2012607
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| Formula |
C21H27N3O3S
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| Molecular Weight |
401.532
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| Canonical SMILES |
CC(C)(C)c1nnc(NC(=O)c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)s1
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| InChI |
InChI=1S/C21H27N3O3S/c1-21(2,3)19-23-24-20(28-19)22-18(27)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12-17(25)26/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,22,24,27)/t13-,14-
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| InChIKey |
CZEBNDIELFMIND-HDJSIYSDSA-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