General Information of the Compound
| Compound ID |
CP0431289
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| Compound Name |
(R)-6-Amino-2-[(S)-3-(4-amino-3,5-dibromo-phenyl)-2-(4-phenyl-butyrylamino)-propionylamino]-hexanoic acid phenethyl-amide
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| Structure |
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| Formula |
C33H41Br2N5O3
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| Molecular Weight |
715.531
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| Canonical SMILES |
NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C33H41Br2N5O3/c34-26-20-25(21-27(35)31(26)37)22-29(39-30(41)16-9-14-23-10-3-1-4-11-23)33(43)40-28(15-7-8-18-36)32(42)38-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29H,7-9,14-19,22,36-37H2,(H,38,42)(H,39,41)(H,40,43)/t28-,29+/m1/s1
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| InChIKey |
SVLVKAPXYWLSPI-WDYNHAJCSA-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