General Information of the Compound
| Compound ID |
CP0465955
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| Compound Name |
US9428500, 26
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| Structure |
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| Formula |
C37H36N4O2
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| Molecular Weight |
568.721
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| Canonical SMILES |
COc1ccc(Cc2ccc(cc2)-c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)c(OC)c1
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| InChI |
InChI=1S/C37H36N4O2/c1-40-18-20-41(21-19-40)30-12-8-26(9-13-30)28-11-15-34-33(23-28)36-32(16-17-38-37(36)39-34)27-6-4-25(5-7-27)22-29-10-14-31(42-2)24-35(29)43-3/h4-17,23-24H,18-22H2,1-3H3,(H,38,39)
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| InChIKey |
WBHQPXXUWKLHMV-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