General Information of the Compound
| Compound ID |
CP0755327
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| Compound Name |
(S)-N1-((S)-1-(2-chlorobenzylamino)-1-oxo-4-phenylbutan-2-yl)-2-(5-methylisoxazole-3-carboxamido)-N4-neopentylsuccinamide
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| Structure |
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| Formula |
C31H38ClN5O5
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| Molecular Weight |
596.128
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| Canonical SMILES |
Cc1cc(C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc2ccccc2Cl)no1
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| InChI |
InChI=1S/C31H38ClN5O5/c1-20-16-26(37-42-20)30(41)36-25(17-27(38)34-19-31(2,3)4)29(40)35-24(15-14-21-10-6-5-7-11-21)28(39)33-18-22-12-8-9-13-23(22)32/h5-13,16,24-25H,14-15,17-19H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)/t24-,25-/m0/s1
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| InChIKey |
CWDABQCUCNGFNM-DQEYMECFSA-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