General Information of the Compound
| Compound ID |
CP0857659
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| Compound Name |
(5R)-N5-(4-Bromo-2-fluorophenyl-methyl)-(6R)-N6-(5-amino-pentyl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C23H31BrFN3O2
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| Molecular Weight |
480.422
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| Canonical SMILES |
NCCCCCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2F)[C@@H]2CC[C@H]1C21CC1
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| InChI |
InChI=1S/C23H31BrFN3O2/c24-15-5-4-14(18(25)12-15)13-28-22(30)20-17-7-6-16(23(17)8-9-23)19(20)21(29)27-11-3-1-2-10-26/h4-5,12,16-17,19-20H,1-3,6-11,13,26H2,(H,27,29)(H,28,30)/t16-,17+,19-,20-/m1/s1
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| InChIKey |
YFWGRIIKGPJMBL-PIKOESSRSA-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