General Information of the Compound
| Compound ID |
CP0517229
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| Compound Name |
US9469631, 79
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| Structure |
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| Formula |
C28H38N4O5
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| Molecular Weight |
510.635
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| Canonical SMILES |
CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C28H38N4O5/c1-7-36-26(34)24-18(2)29-32(19(24)3)23-10-8-20(9-11-23)25(33)31(21-12-13-21)22-14-16-30(17-15-22)27(35)37-28(4,5)6/h8-11,21-22H,7,12-17H2,1-6H3
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| InChIKey |
QPRJGLGVNXCISE-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