General Information of the Compound
| Compound ID |
CP0946858
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| Compound Name |
(5R)-N5-(4-Bromo-2-methylphenyl)-(6R)-N6-(4-pyrrolidino-butyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C26H34BrN3O2
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| Molecular Weight |
500.481
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| Canonical SMILES |
Cc1cc(Br)ccc1NC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
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| InChI |
InChI=1S/C26H34BrN3O2/c1-17-16-18(27)6-9-21(17)29-25(32)23-20-8-7-19(26(20)10-11-26)22(23)24(31)28-12-2-3-13-30-14-4-5-15-30/h6-9,16,19-20,22-23H,2-5,10-15H2,1H3,(H,28,31)(H,29,32)/t19-,20+,22-,23-/m1/s1
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| InChIKey |
MXWAQGHKCKCDLT-IRMYBRCSSA-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