General Information of the Compound
| Compound ID |
CP0516771
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| Compound Name |
US9428500, 21
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| Structure |
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| Formula |
C40H41N5
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| Molecular Weight |
591.803
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| Canonical SMILES |
CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
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| InChI |
InChI=1S/C40H41N5/c1-43-21-18-35(19-22-43)45-25-23-44(24-26-45)34-14-11-31(12-15-34)33-13-16-38-37(28-33)39-36(17-20-41-40(39)42-38)32-9-7-30(8-10-32)27-29-5-3-2-4-6-29/h2-17,20,28,35H,18-19,21-27H2,1H3,(H,41,42)
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| InChIKey |
FHDTVALVKGKOLC-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