General Information of the Compound
| Compound ID |
CP0462868
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| Compound Name |
US9193726, 42
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| Structure |
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| Formula |
C23H22Cl2N4O3
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| Molecular Weight |
473.36
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CC3CCC(O3)c3ccc(Cl)c(Cl)c3)CCn2c1=O
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| InChI |
InChI=1S/C23H22Cl2N4O3/c1-14-11-28(13-26-14)19-5-6-20-22(30)27(8-9-29(20)23(19)31)12-16-3-7-21(32-16)15-2-4-17(24)18(25)10-15/h2,4-6,10-11,13,16,21H,3,7-9,12H2,1H3
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| InChIKey |
IVFUNHAHKPLXTI-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