General Information of the Compound
| Compound ID |
CP0963941
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| Compound Name |
(S)-3-(2-(4-bromophenyl)-5-methyl-1H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C22H22BrN3O2
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| Molecular Weight |
440.341
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| Canonical SMILES |
Cc1ccc2[nH]c(-c3ccc(Br)cc3)c(CCC(=O)N[C@H]3CCNC3=O)c2c1
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| InChI |
InChI=1S/C22H22BrN3O2/c1-13-2-8-18-17(12-13)16(21(26-18)14-3-5-15(23)6-4-14)7-9-20(27)25-19-10-11-24-22(19)28/h2-6,8,12,19,26H,7,9-11H2,1H3,(H,24,28)(H,25,27)/t19-/m0/s1
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| InChIKey |
UOUKGCFYJSFPGH-IBGZPJMESA-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