General Information of the Compound
| Compound ID |
CP0940771
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| Compound Name |
(5R*)-N5-(4-Bromophenyl-methyl)-(6R*)-N6-(3-(4-methylpiperazin-1-yl)-propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C26H35BrN4O2
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| Molecular Weight |
515.496
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| Canonical SMILES |
CN1CCN(CCCNC(=O)[C@H]2[C@H](C(=O)NCc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
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| InChI |
InChI=1S/C26H35BrN4O2/c1-30-13-15-31(16-14-30)12-2-11-28-24(32)22-20-7-8-21(26(20)9-10-26)23(22)25(33)29-17-18-3-5-19(27)6-4-18/h3-8,20-23H,2,9-17H2,1H3,(H,28,32)(H,29,33)/t20-,21+,22-,23-/m1/s1
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| InChIKey |
ZVTRSXBYIXTFES-KAOXLYBCSA-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