General Information of the Compound
| Compound ID |
CP0903336
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| Compound Name |
(5R*)-N5-(3-(2-Methyl-1H-indol-1-yl)-propyl)-(6R*)-N6-(4-pyrrolidin-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 |
C31H42N4O2
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| Molecular Weight |
502.703
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| Canonical SMILES |
Cc1cc2ccccc2n1CCCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
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| InChI |
InChI=1S/C31H42N4O2/c1-22-21-23-9-2-3-10-26(23)35(22)20-8-16-33-30(37)28-25-12-11-24(31(25)13-14-31)27(28)29(36)32-15-4-5-17-34-18-6-7-19-34/h2-3,9-12,21,24-25,27-28H,4-8,13-20H2,1H3,(H,32,36)(H,33,37)/t24-,25+,27-,28-/m1/s1
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| InChIKey |
UDIIEIFKICUKTG-QEFMBMMRSA-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