General Information of the Compound
| Compound ID |
CP0944626
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| Compound Name |
1-((2S)-3-(1H-indol-3-yl)-1-(3-methyl-4-((methylaminooxy)carbonyl)piperidin-1-yl)-1-oxopropan-2-yl)-3-(4-bromophenyl)urea
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| Structure |
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| Formula |
C26H30BrN5O4
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| Molecular Weight |
556.461
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| Canonical SMILES |
CNOC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(Br)cc2)CC1C
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| InChI |
InChI=1S/C26H30BrN5O4/c1-16-15-32(12-11-20(16)25(34)36-28-2)24(33)23(13-17-14-29-22-6-4-3-5-21(17)22)31-26(35)30-19-9-7-18(27)8-10-19/h3-10,14,16,20,23,28-29H,11-13,15H2,1-2H3,(H2,30,31,35)/t16?,20?,23-/m0/s1
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| InChIKey |
RESGMVWDDFZYPG-JCJCGPQSSA-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