General Information of the Compound
| Compound ID |
CP0444914
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| Compound Name |
US9428500, 38
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| Structure |
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| Formula |
C31H28N4O
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| Molecular Weight |
472.592
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| Canonical SMILES |
COc1ccccc1C#Cc1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C31H28N4O/c1-34-17-19-35(20-18-34)26-12-9-22(10-13-26)25-11-14-28-27(21-25)30-24(15-16-32-31(30)33-28)8-7-23-5-3-4-6-29(23)36-2/h3-6,9-16,21H,17-20H2,1-2H3,(H,32,33)
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| InChIKey |
BWIADMVUWVTNBI-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