General Information of the Compound
| Compound ID |
CP0935550
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| Compound Name |
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(3-(N-methylamino)-propyl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C18H25BrN4O2S
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| Molecular Weight |
441.395
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| Canonical SMILES |
CNCCCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
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| InChI |
InChI=1S/C18H25BrN4O2S/c1-20-7-2-8-21-15(24)13-10-3-4-11(18(10)5-6-18)14(13)16(25)23-17-22-9-12(19)26-17/h9-11,13-14,20H,2-8H2,1H3,(H,21,24)(H,22,23,25)/t10-,11+,13-,14-/m1/s1
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| InChIKey |
WILUQYOKTKDCHM-ZMJPVWNMSA-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