General Information of the Compound
| Compound ID |
CP0518847
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| Compound Name |
US9125915, compound 15
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| Structure |
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| Formula |
C25H23ClN6OS
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| Molecular Weight |
491.02
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| Canonical SMILES |
Cc1sc-2c(c1C)C(=NC(CC(=O)Nc1ccc(N)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H23ClN6OS/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)29-20(24-31-30-15(3)32(24)25)12-21(33)28-19-10-8-18(27)9-11-19/h4-11,20H,12,27H2,1-3H3,(H,28,33)
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| InChIKey |
AJAPVWZEHWUYBM-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