General Information of the Compound
| Compound ID |
CP0900478
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| Compound Name |
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(pyrrolidin-3-yl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C18H23BrN4O2S
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| Molecular Weight |
439.379
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| Canonical SMILES |
O=C(NC1CCNC1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
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| InChI |
InChI=1S/C18H23BrN4O2S/c19-12-8-21-17(26-12)23-16(25)14-11-2-1-10(18(11)4-5-18)13(14)15(24)22-9-3-6-20-7-9/h8-11,13-14,20H,1-7H2,(H,22,24)(H,21,23,25)/t9?,10-,11+,13-,14-/m1/s1
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| InChIKey |
IIOBHXCGPITHPJ-XKWMGWPSSA-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