General Information of the Compound
| Compound ID |
CP0549951
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| Compound Name |
US8987473, 137
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| Structure |
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| Formula |
C18H14Cl2N4OS
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| Molecular Weight |
405.31
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| Canonical SMILES |
Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3n[nH]c(=S)o3)ccc12
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| InChI |
InChI=1S/C18H14Cl2N4OS/c1-10-12-6-5-11(8-17-21-22-18(26)25-17)7-16(12)24(23-10)9-13-14(19)3-2-4-15(13)20/h2-7H,8-9H2,1H3,(H,22,26)
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| InChIKey |
VGHIWJDPXWKRGH-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