General Information of the Compound
| Compound ID |
CP0158684
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| Compound Name |
US8664236, A20
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| Structure |
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| Formula |
C19H18N10S
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| Molecular Weight |
418.49
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| Canonical SMILES |
CCN(c1nncs1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C19H18N10S/c1-3-29(19-27-23-10-30-19)16-5-15(25-18(20)26-16)14-8-22-17-13(14)4-11(6-21-17)12-7-24-28(2)9-12/h4-10H,3H2,1-2H3,(H,21,22)(H2,20,25,26)
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| InChIKey |
NGVDOVMTTQHYBC-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