General Information of the Compound
| Compound ID |
CP0498926
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| Compound Name |
(R)-ethyl (5-(4-hydroxybenzylamino)-4-(2,2-diphenylacetamido)-5-oxopentylamino)(amino)methylenecarbamate
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| Structure |
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| Formula |
C30H35N5O5
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| Molecular Weight |
545.64
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| Canonical SMILES |
CCOC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C30H35N5O5/c1-2-40-30(39)35-29(31)32-19-9-14-25(27(37)33-20-21-15-17-24(36)18-16-21)34-28(38)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-26,36H,2,9,14,19-20H2,1H3,(H,33,37)(H,34,38)(H3,31,32,35,39)/t25-/m1/s1
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| InChIKey |
DJXVXLDAYCSLHJ-RUZDIDTESA-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