General Information of the Compound
| Compound ID |
CP0518006
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| Compound Name |
US9266876, 35
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| Structure |
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| Formula |
C24H21Cl2N7O2S
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| Molecular Weight |
542.452
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| Canonical SMILES |
Cn1c2ccccc2n(CC(=O)N2CCN(CC2)c2scnc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1=O
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| InChI |
InChI=1S/C24H21Cl2N7O2S/c1-30-18-4-2-3-5-19(18)33(24(30)35)12-20(34)31-6-8-32(9-7-31)23-21(27-13-36-23)22-28-16-10-14(25)15(26)11-17(16)29-22/h2-5,10-11,13H,6-9,12H2,1H3,(H,28,29)
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| InChIKey |
WYNSUNBZSHAKJO-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