General Information of the Compound
| Compound ID |
CP0013261
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| Compound Name |
US10717746, Example 11
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| Structure |
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| Formula |
C20H24ClN5O3
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| Molecular Weight |
417.897
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| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCOCc23)c(Cl)cn1
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| InChI |
InChI=1S/C20H24ClN5O3/c1-12(27)24-14-4-2-3-13(7-14)20(28)25-19-8-15(17(21)10-22-19)16-9-23-26-5-6-29-11-18(16)26/h8-10,13-14H,2-7,11H2,1H3,(H,24,27)(H,22,25,28)/t13-,14+/m0/s1
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| InChIKey |
CUVDIVXPUWFCOD-UONOGXRCSA-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