General Information of the Compound
| Compound ID |
CP0374970
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| Compound Name |
(1R)-N'-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N-(6-phenylhexyl)ethane-1,2-diamine
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| Structure |
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| Formula |
C30H33Cl2N5
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| Molecular Weight |
534.535
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NCCCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C30H33Cl2N5/c1-22-28(32)30(37-29(36-22)26-18-17-25(31)20-34-26)35-21-27(24-15-9-5-10-16-24)33-19-11-3-2-6-12-23-13-7-4-8-14-23/h4-5,7-10,13-18,20,27,33H,2-3,6,11-12,19,21H2,1H3,(H,35,36,37)/t27-/m0/s1
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| InChIKey |
UBJOTBARWOGPMC-MHZLTWQESA-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