General Information of the Compound
| Compound ID |
CP0515315
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| Compound Name |
(1R)-N'-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N-(5-phenylpentyl)ethane-1,2-diamine
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| Structure |
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| Formula |
C29H31Cl2N5
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| Molecular Weight |
520.508
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| Canonical SMILES |
Cc1nc(nc(NC[C@H](NCCCCCc2ccccc2)c2ccccc2)c1Cl)-c1ccc(Cl)cn1
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| InChI |
InChI=1S/C29H31Cl2N5/c1-21-27(31)29(36-28(35-21)25-17-16-24(30)19-33-25)34-20-26(23-14-8-3-9-15-23)32-18-10-4-7-13-22-11-5-2-6-12-22/h2-3,5-6,8-9,11-12,14-17,19,26,32H,4,7,10,13,18,20H2,1H3,(H,34,35,36)/t26-/m0/s1
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| InChIKey |
KGNTWFMEZAEKMD-SANMLTNESA-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