General Information of the Compound
| Compound ID |
CP0891845
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| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-{[(1,5-dimethyl -1H-pyrazole-3-carbonyl)-amino]-methyl}-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
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| Structure |
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| Formula |
C23H25BrN4O2
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| Molecular Weight |
469.383
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| Canonical SMILES |
Cc1cc(C(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)nn1C
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| InChI |
InChI=1S/C23H25BrN4O2/c1-13-11-19(27-28(13)2)21(29)25-12-16-17-7-8-18(23(17)9-10-23)20(16)22(30)26-15-5-3-14(24)4-6-15/h3-8,11,16-18,20H,9-10,12H2,1-2H3,(H,25,29)(H,26,30)/t16-,17-,18+,20+/m1/s1
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| InChIKey |
LADFJSZRXFAION-XSYGEPLQSA-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