General Information of the Compound
| Compound ID |
CP0550798
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| Compound Name |
(3S)-4-[[(2S)-1-[[(2S)-1-[[2-amino-2-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]iminoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3-carboxypropanoylamino)-4-oxobutanoic acid
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| Structure |
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| Formula |
C40H56N8O10S
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| Molecular Weight |
841.001
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=N)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(N)=O
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| InChI |
InChI=1S/C40H56N8O10S/c1-24(2)19-28(37(55)46-27(36(42)54)17-18-59-4)44-32(41)23-43-39(57)31(21-26-13-9-6-10-14-26)48(3)40(58)30(20-25-11-7-5-8-12-25)47-38(56)29(22-35(52)53)45-33(49)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,44)(H2,42,54)(H,43,57)(H,45,49)(H,46,55)(H,47,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1
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| InChIKey |
CMLMETKJUDBNKP-QKUYTOGTSA-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