General Information of the Compound
| Compound ID |
CP0951741
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| Compound Name |
(5R)-N5-(5-Bromo-thiazol-2-yl)-(6R)-N6-(5-tert-butoxycarbonyl-amino-pentyl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C24H35BrN4O4S
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| Molecular Weight |
555.539
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
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| InChI |
InChI=1S/C24H35BrN4O4S/c1-23(2,3)33-22(32)27-12-6-4-5-11-26-19(30)17-14-7-8-15(24(14)9-10-24)18(17)20(31)29-21-28-13-16(25)34-21/h13-15,17-18H,4-12H2,1-3H3,(H,26,30)(H,27,32)(H,28,29,31)/t14-,15+,17-,18-/m1/s1
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| InChIKey |
RJNSMERMSTWIEZ-CYGHRXIMSA-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