General Information of the Compound
| Compound ID |
CP0903262
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(2-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C25H29BrN4O2
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| Molecular Weight |
497.437
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| Canonical SMILES |
CCn1nc(C)cc1CCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C25H29BrN4O2/c1-3-30-18(14-15(2)29-30)10-13-27-23(31)21-19-8-9-20(25(19)11-12-25)22(21)24(32)28-17-6-4-16(26)5-7-17/h4-9,14,19-22H,3,10-13H2,1-2H3,(H,27,31)(H,28,32)/t19-,20+,21-,22-/m1/s1
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| InChIKey |
USZVEXKAIBRPLA-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