General Information of the Compound
| Compound ID |
CP0548283
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| Compound Name |
(5R)-1-[[(2S)-1-[(1R)-1-[(4R)-3-[(4-tert-butylcyclohexyl)methyl]-2-imino-4-propylimidazolidin-1-yl]-2-phenylethyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
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| Formula |
C37H63N7
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| Molecular Weight |
605.96
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| Canonical SMILES |
CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2[C@H](CC(C)C)CNC2=N)C(=N)N1CC1CCC(CC1)C(C)(C)C
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| InChI |
InChI=1S/C37H63N7/c1-7-12-31-26-44(36(39)43(31)24-29-16-18-30(19-17-29)37(4,5)6)34(22-28-13-9-8-10-14-28)41-20-11-15-32(41)25-42-33(21-27(2)3)23-40-35(42)38/h8-10,13-14,27,29-34,39H,7,11-12,15-26H2,1-6H3,(H2,38,40)/t29?,30?,31-,32+,33-,34-/m1/s1
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| InChIKey |
ILJUOCVHINDNPZ-DZGSVNIASA-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