General Information of the Compound
| Compound ID |
CP0891842
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| Compound Name |
(5R)-N5-(4-Bromophenyl)-(6R)-N6-(4-(4-methyl-piperazin-1-yl)butyl)-(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(CCCCNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
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| InChI |
InChI=1S/C26H35BrN4O2/c1-30-14-16-31(17-15-30)13-3-2-12-28-24(32)22-20-8-9-21(26(20)10-11-26)23(22)25(33)29-19-6-4-18(27)5-7-19/h4-9,20-23H,2-3,10-17H2,1H3,(H,28,32)(H,29,33)/t20-,21+,22-,23-/m1/s1
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| InChIKey |
LMRPYSPIPOVVKQ-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