General Information of the Compound
| Compound ID |
CP0867760
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(3-(4-methyl-piperazin-1-yl)-propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C25H33BrN4O2
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| Molecular Weight |
501.469
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| Canonical SMILES |
CN1CCN(CCCNC(=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/C25H33BrN4O2/c1-29-13-15-30(16-14-29)12-2-11-27-23(31)21-19-7-8-20(25(19)9-10-25)22(21)24(32)28-18-5-3-17(26)4-6-18/h3-8,19-22H,2,9-16H2,1H3,(H,27,31)(H,28,32)/t19-,20+,21-,22-/m1/s1
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| InChIKey |
QUZOGJWPSIOIDY-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