General Information of the Compound
| Compound ID |
CP0326836
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| Compound Name |
US10501467, Example 34
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| Structure |
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| Formula |
C21H26N4O
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| Molecular Weight |
350.466
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| Canonical SMILES |
CC1(C)Cc2n(CCN3CCCC3)c3cccc4c3c2c(C1)n[nH]c4=O
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| InChI |
InChI=1S/C21H26N4O/c1-21(2)12-15-19-17(13-21)25(11-10-24-8-3-4-9-24)16-7-5-6-14(18(16)19)20(26)23-22-15/h5-7H,3-4,8-13H2,1-2H3,(H,23,26)
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| InChIKey |
KGFVHDYZYNUJJN-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