General Information of the Compound
| Compound ID |
CP0861849
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| Compound Name |
(5R)-N5-(4-Bromophenyl)-(6R)-N6-(4-(4-ethyl-piperazin-1-yl)-butyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H37BrN4O2
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| Molecular Weight |
529.523
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| Canonical SMILES |
CCN1CCN(CCCCNC(=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/C27H37BrN4O2/c1-2-31-15-17-32(18-16-31)14-4-3-13-29-25(33)23-21-9-10-22(27(21)11-12-27)24(23)26(34)30-20-7-5-19(28)6-8-20/h5-10,21-24H,2-4,11-18H2,1H3,(H,29,33)(H,30,34)/t21-,22+,23-,24-/m1/s1
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| InChIKey |
QKQZSPOQOGAQBO-UEQSERJNSA-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