General Information of the Compound
| Compound ID |
CP0545651
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| Compound Name |
US9125915, compound 16
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| Structure |
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| Formula |
C25H23ClN6O2S
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| Molecular Weight |
507.019
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| Canonical SMILES |
COc1ccc(NC(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)cn1
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| InChI |
InChI=1S/C25H23ClN6O2S/c1-13-14(2)35-25-22(13)23(16-5-7-17(26)8-6-16)29-19(24-31-30-15(3)32(24)25)11-20(33)28-18-9-10-21(34-4)27-12-18/h5-10,12,19H,11H2,1-4H3,(H,28,33)/t19-/m0/s1
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| InChIKey |
OKRJFYDTVGCNMM-IBGZPJMESA-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