General Information of the Compound
| Compound ID |
CP0405385
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| Compound Name |
US10759794, Example 178
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| Structure |
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| Formula |
C28H26ClFN4O
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| Molecular Weight |
488.994
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| Canonical SMILES |
Fc1cccc(c1)C(=O)N1CCN(Cc2c(nc3ccc(cn23)C2CC2)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C28H26ClFN4O/c29-23-9-6-20(7-10-23)27-25(34-17-22(19-4-5-19)8-11-26(34)31-27)18-32-12-14-33(15-13-32)28(35)21-2-1-3-24(30)16-21/h1-3,6-11,16-17,19H,4-5,12-15,18H2
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| InChIKey |
MJCSTFGPNPFINV-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