General Information of the Compound
| Compound ID |
CP0866450
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(3-(1H-benzoimidazol-2-yl)-propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H27BrN4O2
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| Molecular Weight |
519.443
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| Canonical SMILES |
O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C27H27BrN4O2/c28-16-7-9-17(10-8-16)30-26(34)24-19-12-11-18(27(19)13-14-27)23(24)25(33)29-15-3-6-22-31-20-4-1-2-5-21(20)32-22/h1-2,4-5,7-12,18-19,23-24H,3,6,13-15H2,(H,29,33)(H,30,34)(H,31,32)/t18-,19+,23-,24-/m1/s1
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| InChIKey |
QPIYUDNRDCSPEZ-RKGYPADOSA-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