General Information of the Compound
| Compound ID |
CP0254280
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| Compound Name |
CHEMBL4870870
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| Formula |
C20H18ClN7O2
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| Molecular Weight |
423.864
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| Canonical SMILES |
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CN(C[C@@H]34)c3cccc(Cl)c3)c(=O)c12
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| InChI |
InChI=1S/C20H18ClN7O2/c1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-13-6-27(7-14(13)16)12-4-2-3-11(21)5-12/h2-5,9-10,13-14,16H,6-8H2,1H3/t13-,14+,16+
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| InChIKey |
PXCDDIGJGSYRSZ-FOLVSLTJSA-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