General Information of the Compound
| Compound ID |
CP0403794
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| Compound Name |
(2R)-5-[[amino-[4-(propanoylamino)butylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
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| Structure |
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| Formula |
C35H45N7O5
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| Molecular Weight |
643.789
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| Canonical SMILES |
CCC(=O)NCCCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C35H45N7O5/c1-2-30(44)37-21-9-10-22-39-35(47)42-34(36)38-23-11-16-29(32(45)40-24-25-17-19-28(43)20-18-25)41-33(46)31(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-8,12-15,17-20,29,31,43H,2,9-11,16,21-24H2,1H3,(H,37,44)(H,40,45)(H,41,46)(H4,36,38,39,42,47)/t29-/m1/s1
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| InChIKey |
HPZNBAUGMBRUCO-GDLZYMKVSA-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