General Information of the Compound
| Compound ID |
CP0849434
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| Compound Name |
(S)-N1-((S)-1-(2-chlorobenzylamino)-1-oxopropan-2-yl)-N4-neopentyl-2-(3-phenylpropanamido)succinamide
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| Structure |
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| Formula |
C28H37ClN4O4
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| Molecular Weight |
529.081
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccccc1Cl
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| InChI |
InChI=1S/C28H37ClN4O4/c1-19(26(36)30-17-21-12-8-9-13-22(21)29)32-27(37)23(16-25(35)31-18-28(2,3)4)33-24(34)15-14-20-10-6-5-7-11-20/h5-13,19,23H,14-18H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)(H,33,34)/t19-,23-/m0/s1
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| InChIKey |
HALFUHGLELUWHY-CVDCTZTESA-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