General Information of the Compound
| Compound ID |
CP0560225
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| Compound Name |
US10301278, Example 20
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| Structure |
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| Formula |
C17H23ClN6S
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| Molecular Weight |
378.933
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| Canonical SMILES |
CC1(CN)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
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| InChI |
InChI=1S/C17H23ClN6S/c1-17(10-19)5-7-24(8-6-17)13-9-22-16(15(21)23-13)25-12-4-2-3-11(20)14(12)18/h2-4,9H,5-8,10,19-20H2,1H3,(H2,21,23)
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| InChIKey |
SLPYAFYUJAPVEZ-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