General Information of the Compound
| Compound ID |
CP0958529
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| Compound Name |
(5R*)-N5-(2-(1-Methyl-1H-benzoimidazol-2-yl)-ethyl)-(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 |
C29H39N5O2
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| Molecular Weight |
489.664
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| Canonical SMILES |
Cn1c(CCNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)nc2ccccc21
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| InChI |
InChI=1S/C29H39N5O2/c1-33-23-9-3-2-8-22(23)32-24(33)12-16-31-28(36)26-21-11-10-20(29(21)13-14-29)25(26)27(35)30-15-4-5-17-34-18-6-7-19-34/h2-3,8-11,20-21,25-26H,4-7,12-19H2,1H3,(H,30,35)(H,31,36)/t20-,21+,25-,26-/m1/s1
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| InChIKey |
IOVDEXHUOCIIHV-WSAILGMDSA-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