General Information of the Compound
| Compound ID |
CP0849436
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| Compound Name |
(S)-2-(2-(1H-indol-3-yl)-2-oxoacetamido)-N1-((S)-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl)-N4-neopentylsuccinamide
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| Structure |
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| Formula |
C36H41N5O5
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| Molecular Weight |
623.754
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| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C36H41N5O5/c1-36(2,3)23-39-31(42)20-30(41-35(46)32(43)27-22-37-28-17-11-10-16-26(27)28)34(45)40-29(19-18-24-12-6-4-7-13-24)33(44)38-21-25-14-8-5-9-15-25/h4-17,22,29-30,37H,18-21,23H2,1-3H3,(H,38,44)(H,39,42)(H,40,45)(H,41,46)/t29-,30-/m0/s1
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| InChIKey |
TYVHOIHTIWHIBN-KYJUHHDHSA-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