General Information of the Compound
| Compound ID |
CP0937310
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| Compound Name |
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-[(pyrrolidin-2-yl)-methyl]-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C19H25BrN4O2S
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| Molecular Weight |
453.406
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| Canonical SMILES |
O=C(NCC1CCCN1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
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| InChI |
InChI=1S/C19H25BrN4O2S/c20-13-9-23-18(27-13)24-17(26)15-12-4-3-11(19(12)5-6-19)14(15)16(25)22-8-10-2-1-7-21-10/h9-12,14-15,21H,1-8H2,(H,22,25)(H,23,24,26)/t10?,11-,12+,14-,15-/m1/s1
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| InChIKey |
VSXZBCGBSBMNNA-IHZUMSIISA-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