General Information of the Compound
| Compound ID |
CP0452955
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| Compound Name |
(R)-methyl 8-(3-(4-(2,2-diphenylacetamido)-5-(4-hydroxybenzylamino)-5-oxopentyl)guanidino)-8-oxooctanoate
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| Structure |
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| Formula |
C36H45N5O6
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| Molecular Weight |
643.785
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| Canonical SMILES |
COC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C36H45N5O6/c1-47-32(44)19-11-3-2-10-18-31(43)41-36(37)38-24-12-17-30(34(45)39-25-26-20-22-29(42)23-21-26)40-35(46)33(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-9,13-16,20-23,30,33,42H,2-3,10-12,17-19,24-25H2,1H3,(H,39,45)(H,40,46)(H3,37,38,41,43)/t30-/m1/s1
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| InChIKey |
BYHPCDDUBAZYAA-SSEXGKCCSA-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