General Information of the Compound
| Compound ID |
CP0513059
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| Compound Name |
US9409915, 87
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| Structure |
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| Formula |
C22H21Cl2N5O3
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| Molecular Weight |
474.348
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| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2cc(nc(OCC(O)=O)c2[nH]1)-c1ccccc1Cl)C(C)(C)C
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| InChI |
InChI=1S/C22H21Cl2N5O3/c1-22(2,3)19-16(24)18(29(4)28-19)20-25-14-9-13(11-7-5-6-8-12(11)23)26-21(17(14)27-20)32-10-15(30)31/h5-9H,10H2,1-4H3,(H,25,27)(H,30,31)
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| InChIKey |
VYCCSQUKOGMFQT-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