General Information of the Compound
| Compound ID |
CP0013321
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| Compound Name |
US10717746, Example 16
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| Structure |
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| Formula |
C22H29N5O2
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| Molecular Weight |
395.507
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| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CC(C)(C)Cc12
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| InChI |
InChI=1S/C22H29N5O2/c1-14(28)25-17-6-4-5-16(9-17)21(29)26-20-10-15(7-8-23-20)18-12-24-27-13-22(2,3)11-19(18)27/h7-8,10,12,16-17H,4-6,9,11,13H2,1-3H3,(H,25,28)(H,23,26,29)/t16-,17+/m0/s1
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| InChIKey |
SFJPXLFAVIITJQ-DLBZAZTESA-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