General Information of the Compound
| Compound ID |
CP0516351
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| Compound Name |
US9469631, 78
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| Structure |
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| Formula |
C27H36N4O5
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| Molecular Weight |
496.608
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| Canonical SMILES |
CCOC(=O)c1cnn(c1C)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C27H36N4O5/c1-6-35-25(33)23-17-28-31(18(23)2)22-9-7-19(8-10-22)24(32)30(20-11-12-20)21-13-15-29(16-14-21)26(34)36-27(3,4)5/h7-10,17,20-21H,6,11-16H2,1-5H3
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| InChIKey |
RUFINHDSFASABG-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