General Information of the Compound
| Compound ID |
CP0881290
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| Compound Name |
(S)-N1-((S)-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl)-2-(5-methylisoxazole-3-carboxamido)-N2-neopentylsuccinamide
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| Structure |
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| Formula |
C31H39N5O5
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| Molecular Weight |
561.683
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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)NCc2ccccc2)no1
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| InChI |
InChI=1S/C31H39N5O5/c1-21-17-26(36-41-21)30(40)35-25(18-27(37)33-20-31(2,3)4)29(39)34-24(16-15-22-11-7-5-8-12-22)28(38)32-19-23-13-9-6-10-14-23/h5-14,17,24-25H,15-16,18-20H2,1-4H3,(H,32,38)(H,33,37)(H,34,39)(H,35,40)/t24-,25-/m0/s1
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| InChIKey |
PEKNSUNAKRRBMR-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