General Information of the Compound
| Compound ID |
CP0896531
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(N-(3-methyl-butyl)-piperidin-4-yl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H36BrN3O2
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| Molecular Weight |
514.508
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| Canonical SMILES |
CC(C)CCN1CCC(NC(=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/C27H36BrN3O2/c1-17(2)9-14-31-15-10-20(11-16-31)30-26(33)24-22-8-7-21(27(22)12-13-27)23(24)25(32)29-19-5-3-18(28)4-6-19/h3-8,17,20-24H,9-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,22+,23+,24+/m0/s1
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| InChIKey |
XAZNNAQOSQWEIB-OLKYXYMISA-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