General Information of the Compound
| Compound ID |
CP0011851
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| Compound Name |
US10717746, Example 8
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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(-c2cnn3CCCOc23)c(Cl)cn1
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| InChI |
InChI=1S/C20H24ClN5O3/c1-12(27)24-14-5-2-4-13(8-14)19(28)25-18-9-15(17(21)11-22-18)16-10-23-26-6-3-7-29-20(16)26/h9-11,13-14H,2-8H2,1H3,(H,24,27)(H,22,25,28)/t13-,14+/m0/s1
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| InChIKey |
IIFJRNNBNQWDLA-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