General Information of the Compound
| Compound ID |
CP0521163
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| Compound Name |
US9029360, 19
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| Structure |
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| Formula |
C14H12ClN5O2S
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| Molecular Weight |
349.803
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| Canonical SMILES |
Clc1cnc2cc(nn2c1)C(=O)N1CCc2[nH]c(=O)sc2CC1
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| InChI |
InChI=1S/C14H12ClN5O2S/c15-8-6-16-12-5-10(18-20(12)7-8)13(21)19-3-1-9-11(2-4-19)23-14(22)17-9/h5-7H,1-4H2,(H,17,22)
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| InChIKey |
PHTXEXDUGBXUIJ-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