General Information of the Compound
| Compound ID |
CP0533813
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| Compound Name |
(1R)-1-[(4S)-1-[(1R)-1-[(2S)-2-[[(5R)-2-amino-5-propan-2-yl-4,5-dihydroimidazol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethyl]-2-imino-3-(4-methylpentyl)imidazolidin-4-yl]ethanol
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| Formula |
C30H51N7O
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| Molecular Weight |
525.786
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| Canonical SMILES |
CC(C)CCCN1[C@@H](CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2[C@@H](CNC2=N)C(C)C)C1=N)[C@@H](C)O
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| InChI |
InChI=1S/C30H51N7O/c1-21(2)11-9-16-35-27(23(5)38)20-37(30(35)32)28(17-24-12-7-6-8-13-24)34-15-10-14-25(34)19-36-26(22(3)4)18-33-29(36)31/h6-8,12-13,21-23,25-28,32,38H,9-11,14-20H2,1-5H3,(H2,31,33)/t23-,25+,26+,27+,28-/m1/s1
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| InChIKey |
VOBHZYFVNLOGNI-GDMSQXPWSA-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