General Information of the Compound
| Compound ID |
CP0525070
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| Compound Name |
CHEMBL2012602
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| Formula |
C22H22N4O3S
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| Molecular Weight |
422.51
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccncc1
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| InChI |
InChI=1S/C22H22N4O3S/c27-19(28)13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)20(29)24-22-26-25-21(30-22)18-9-11-23-12-10-18/h5-12,14-15H,1-4,13H2,(H,27,28)(H,24,26,29)/t14-,15-
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| InChIKey |
AOAIAIINPUUPKW-SHTZXODSSA-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