General Information of the Compound
| Compound ID |
CP0856875
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| Compound Name |
SID22408067
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| Structure |
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| Formula |
C29H24ClN5O2S
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| Molecular Weight |
542.064
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| Canonical SMILES |
COc1ccc(NC(=O)C(Sc2nnc(-c3ccncc3)n2-c2ccccc2C)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C29H24ClN5O2S/c1-19-8-6-7-11-24(19)35-27(21-14-16-31-17-15-21)33-34-29(35)38-26(20-9-4-3-5-10-20)28(36)32-22-12-13-25(37-2)23(30)18-22/h3-18,26H,1-2H3,(H,32,36)
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| InChIKey |
JFYSDAKSRYSWKD-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