General Information of the Compound
| Compound ID |
CP0309779
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| Compound Name |
1-((R)-1-(4-(2-((S)-1-(3-aminopropylamino)-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one
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| Structure |
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| Formula |
C31H42Cl2FN5O2
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| Molecular Weight |
606.614
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| Canonical SMILES |
CC(C)C[C@H](NCCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
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| InChI |
InChI=1S/C31H42Cl2FN5O2/c1-21(2)18-27(36-12-5-11-35)24-6-3-7-26(34)30(24)37-14-16-38(17-15-37)31(41)28(39-13-4-8-29(39)40)19-22-9-10-23(32)20-25(22)33/h3,6-7,9-10,20-21,27-28,36H,4-5,8,11-19,35H2,1-2H3/t27-,28+/m0/s1
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| InChIKey |
ZXOJJZQNCXSKSG-WUFINQPMSA-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