General Information of the Compound
| Compound ID |
CP0471257
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| Compound Name |
(5R)-1-[[(2S)-1-[(1R)-1-[(4R)-3-(1-adamantylmethyl)-2-imino-4-propylimidazolidin-1-yl]-2-cyclohexylethyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
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| Formula |
C37H65N7
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| Molecular Weight |
607.976
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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)N1CC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C37H65N7/c1-4-9-31-24-43(36(39)44(31)25-37-19-28-15-29(20-37)17-30(16-28)21-37)34(18-27-10-6-5-7-11-27)41-13-8-12-32(41)23-42-33(14-26(2)3)22-40-35(42)38/h26-34,39H,4-25H2,1-3H3,(H2,38,40)/t28?,29?,30?,31-,32+,33-,34-,37?/m1/s1
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| InChIKey |
SEYSQQUWVBPWTA-GVBQWOKBSA-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