General Information of the Compound
| Compound ID |
CP0559907
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| Compound Name |
US9314468, Table 8, Compound 2
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| Structure |
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| Formula |
C28H31N5
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| Molecular Weight |
437.591
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)C1CCCc2cccnc12
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| InChI |
InChI=1S/C28H31N5/c1-2-18-33-25-12-4-3-11-22(25)23-14-17-30-24(28(23)33)20-32(19-6-5-15-29)26-13-7-9-21-10-8-16-31-27(21)26/h1,3-4,8,10-12,14,16-17,26H,5-7,9,13,15,18-20,29H2
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| InChIKey |
LWLCPNMLRWYQTO-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