General Information of the Compound
| Compound ID |
CP0106497
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| Compound Name |
(3S)-3-[[(4S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-4-methylsulfanylpyrrolidine-2-carbonyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C30H36N6O6S
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| Molecular Weight |
608.721
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| Canonical SMILES |
CS[C@H]1CC(N(C1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C30H36N6O6S/c1-43-19-13-25(36(16-19)30(42)21(31)12-18-15-33-22-10-6-5-9-20(18)22)29(41)35-24(14-26(37)38)28(40)34-23(27(32)39)11-17-7-3-2-4-8-17/h2-10,15,19,21,23-25,33H,11-14,16,31H2,1H3,(H2,32,39)(H,34,40)(H,35,41)(H,37,38)/t19-,21-,23-,24-,25?/m0/s1
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| InChIKey |
OCMWWQQXGMTNQL-KOCHTHTNSA-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