General Information of the Compound
| Compound ID |
CP0849433
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| Compound Name |
(S)-N1-((S)-1-(2-chlorobenzylamino)-1-oxo-4-phenylbutan-2-yl)-2-(2-(4-fluorophenyl)acetamido)-N4-neopentylsuccinamide
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| Structure |
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| Formula |
C34H40ClFN4O4
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| Molecular Weight |
623.169
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| Canonical SMILES |
CC(C)(C)CNC(=O)C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl
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| InChI |
InChI=1S/C34H40ClFN4O4/c1-34(2,3)22-38-30(41)20-29(39-31(42)19-24-13-16-26(36)17-14-24)33(44)40-28(18-15-23-9-5-4-6-10-23)32(43)37-21-25-11-7-8-12-27(25)35/h4-14,16-17,28-29H,15,18-22H2,1-3H3,(H,37,43)(H,38,41)(H,39,42)(H,40,44)/t28-,29-/m0/s1
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| InChIKey |
DDKULVADLPTYQQ-VMPREFPWSA-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