General Information of the Compound
| Compound ID |
CP0757715
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| Compound Name |
5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide
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| Structure |
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| Formula |
C24H25ClFN5O4
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| Molecular Weight |
501.946
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| Canonical SMILES |
NCCCNC(=O)c1cc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(Cl)c4)C3=O)ccc2[nH]1
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| InChI |
InChI=1S/C24H25ClFN5O4/c25-16-8-14(9-17(26)12-16)13-29-22(33)24(35)4-7-31(23(24)34)18-2-3-19-15(10-18)11-20(30-19)21(32)28-6-1-5-27/h2-3,8-12,30,35H,1,4-7,13,27H2,(H,28,32)(H,29,33)/t24-/m0/s1
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| InChIKey |
NEFMYAUTOXJRLT-DEOSSOPVSA-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