General Information of the Compound
| Compound ID |
CP0904416
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(2-(4-aminosulfonyl-phenyl)-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C25H26BrN3O4S
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| Molecular Weight |
544.471
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)cc1
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| InChI |
InChI=1S/C25H26BrN3O4S/c26-16-3-5-17(6-4-16)29-24(31)22-20-10-9-19(25(20)12-13-25)21(22)23(30)28-14-11-15-1-7-18(8-2-15)34(27,32)33/h1-10,19-22H,11-14H2,(H,28,30)(H,29,31)(H2,27,32,33)/t19-,20+,21-,22-/m1/s1
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| InChIKey |
JPGDXISNZNIJDY-CIAFKFPVSA-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
Protein ID: PT00605, FML2_HUMAN
Protein ID: PT02590, N-formyl peptide receptor 2