General Information of the Compound
| Compound ID |
CP0755326
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| Compound Name |
(S)-2-(2-(1H-indol-3-yl)-2-oxoacetamido)-N1-((S)-1-(2-chlorobenzylamino)-1-oxo-4-phenylbutan-2-yl)-N4-neopentylsuccinamide
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| Structure |
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| Formula |
C36H40ClN5O5
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| Molecular Weight |
658.199
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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)NCc1ccccc1Cl
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| InChI |
InChI=1S/C36H40ClN5O5/c1-36(2,3)22-40-31(43)19-30(42-35(47)32(44)26-21-38-28-16-10-8-14-25(26)28)34(46)41-29(18-17-23-11-5-4-6-12-23)33(45)39-20-24-13-7-9-15-27(24)37/h4-16,21,29-30,38H,17-20,22H2,1-3H3,(H,39,45)(H,40,43)(H,41,46)(H,42,47)/t29-,30-/m0/s1
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| InChIKey |
XLRDMTPQCLCZCW-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