General Information of the Compound
| Compound ID |
CP0873889
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(N-tert-butoxycarbonyl-pyrrolidin-2-yl-methyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H34BrN3O4
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| Molecular Weight |
544.49
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCCC1CNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C27H34BrN3O4/c1-26(2,3)35-25(34)31-14-4-5-18(31)15-29-23(32)21-19-10-11-20(27(19)12-13-27)22(21)24(33)30-17-8-6-16(28)7-9-17/h6-11,18-22H,4-5,12-15H2,1-3H3,(H,29,32)(H,30,33)/t18?,19-,20+,21-,22-/m1/s1
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| InChIKey |
SYJMPFBNQNKYHP-RFQIGKHKSA-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