General Information of the Compound
| Compound ID |
CP0880261
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| Compound Name |
(S)-N1-((S)-1-(2-chlorobenzylamino)-1-oxo-4-phenylbutan-2-yl)-N4-neopentyl-2-(3-phenylpropanamido)succinamide
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| Structure |
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| Formula |
C35H43ClN4O4
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| Molecular Weight |
619.206
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| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
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| InChI |
InChI=1S/C35H43ClN4O4/c1-35(2,3)24-38-32(42)22-30(39-31(41)21-19-26-14-8-5-9-15-26)34(44)40-29(20-18-25-12-6-4-7-13-25)33(43)37-23-27-16-10-11-17-28(27)36/h4-17,29-30H,18-24H2,1-3H3,(H,37,43)(H,38,42)(H,39,41)(H,40,44)/t29-,30-/m0/s1
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| InChIKey |
CSNWOMFOHRLZGI-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