General Information of the Compound
| Compound ID |
CP0867195
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| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(2,2-dimethyl-3-N-tert-butoxycarbonyl-amino-propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H36BrN3O4
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| Molecular Weight |
546.506
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| Canonical SMILES |
CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C27H36BrN3O4/c1-25(2,3)35-24(34)30-15-26(4,5)14-29-22(32)20-18-10-11-19(27(18)12-13-27)21(20)23(33)31-17-8-6-16(28)7-9-17/h6-11,18-21H,12-15H2,1-5H3,(H,29,32)(H,30,34)(H,31,33)/t18-,19+,20-,21-/m1/s1
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| InChIKey |
UUZDYRZUSVZZLV-PLACYPQZSA-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