General Information of the Compound
| Compound ID |
CP0560911
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| Compound Name |
(3R)-2-[(2R)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(4-chlorophenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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| Formula |
C32H41ClN8O7
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| Molecular Weight |
685.182
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| Canonical SMILES |
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(O)=O
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| InChI |
InChI=1S/C32H41ClN8O7/c1-18(42)38-23(7-4-14-37-32(35)36)28(44)39-24(12-13-27(34)43)29(45)40-25(15-19-8-10-22(33)11-9-19)30(46)41-17-21-6-3-2-5-20(21)16-26(41)31(47)48/h2-3,5-6,8-11,23-26H,4,7,12-17H2,1H3,(H2,34,43)(H,38,42)(H,39,44)(H,40,45)(H,47,48)(H4,35,36,37)/t23-,24-,25+,26+/m0/s1
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| InChIKey |
ZHZBDJFVGOEGSD-QEGGNFSNSA-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