General Information of the Compound
| Compound ID |
CP0288155
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| Compound Name |
3-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)phenyl)-3-methylbutyl)propanamide
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| Structure |
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| Formula |
C31H41Cl2N5O3
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| Molecular Weight |
602.607
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CCN)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
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| InChI |
InChI=1S/C31H41Cl2N5O3/c1-21(2)18-26(35-29(39)11-12-34)24-6-3-4-7-27(24)36-14-16-37(17-15-36)31(41)28(38-13-5-8-30(38)40)19-22-9-10-23(32)20-25(22)33/h3-4,6-7,9-10,20-21,26,28H,5,8,11-19,34H2,1-2H3,(H,35,39)/t26-,28+/m0/s1
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| InChIKey |
MKCZAMJRNWLDEF-XTEPFMGCSA-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