General Information of the Compound
| Compound ID |
CP0013360
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| Compound Name |
US10717746, Example 3
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| Structure |
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| Formula |
C21H27N5O2
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| Molecular Weight |
381.48
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| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CCCCc12
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| InChI |
InChI=1S/C21H27N5O2/c1-14(27)24-17-6-4-5-16(11-17)21(28)25-20-12-15(8-9-22-20)18-13-23-26-10-3-2-7-19(18)26/h8-9,12-13,16-17H,2-7,10-11H2,1H3,(H,24,27)(H,22,25,28)/t16-,17+/m0/s1
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| InChIKey |
ASEPZBUAEOJUCM-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