General Information of the Compound
| Compound ID |
CP0214845
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| Compound Name |
N-[(1S)-1-[2-[4-[(2R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperazin-1-yl]phenyl]-3-methylbutyl]-3-(methylamino)propanamide
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| Structure |
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| Formula |
C32H43Cl2N5O3
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| Molecular Weight |
616.634
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| Canonical SMILES |
CNCCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
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| InChI |
InChI=1S/C32H43Cl2N5O3/c1-22(2)19-27(36-30(40)12-13-35-3)25-7-4-5-8-28(25)37-15-17-38(18-16-37)32(42)29(39-14-6-9-31(39)41)20-23-10-11-24(33)21-26(23)34/h4-5,7-8,10-11,21-22,27,29,35H,6,9,12-20H2,1-3H3,(H,36,40)/t27-,29+/m0/s1
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| InChIKey |
XVNQYSVVZUWFTA-LMSSTIIKSA-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