General Information of the Compound
| Compound ID |
CP0947417
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| Compound Name |
SID51086189
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| Structure |
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| Formula |
C20H19ClN4O3S
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| Molecular Weight |
430.917
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| Canonical SMILES |
COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)c(O)n1
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| InChI |
InChI=1S/C20H19ClN4O3S/c1-12-3-5-13(6-4-12)9-16-19(27)23-20(25-24-16)29-11-18(26)22-15-10-14(21)7-8-17(15)28-2/h3-8,10H,9,11H2,1-2H3,(H,22,26)(H,23,25,27)
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| InChIKey |
ZHTNVSOFBUVFIF-UHFFFAOYSA-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