General Information of the Compound
| Compound ID |
CP0418596
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| Compound Name |
(5R)-1-[[(2S)-1-[(1R)-2-cyclohexyl-1-[(4R)-2-imino-3-(4-methylpentyl)-4-propan-2-ylimidazolidin-1-yl]ethyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
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| Formula |
C32H61N7
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| Molecular Weight |
543.889
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| Canonical SMILES |
CC(C)CCCN1[C@@H](CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2[C@H](CC(C)C)CNC2=N)C1=N)C(C)C
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| InChI |
InChI=1S/C32H61N7/c1-23(2)12-10-17-37-29(25(5)6)22-39(32(37)34)30(19-26-13-8-7-9-14-26)36-16-11-15-27(36)21-38-28(18-24(3)4)20-35-31(38)33/h23-30,34H,7-22H2,1-6H3,(H2,33,35)/t27-,28+,29-,30+/m0/s1
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| InChIKey |
ICHKBBGYYMTILV-RRGQHJHPSA-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