General Information of the Compound
| Compound ID |
CP0904291
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| Compound Name |
(5R)-N5-(2-(2,4-Dichlorophenyl)ethyl)-(6R)-N6-(4-pyrrolidino-butyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H35Cl2N3O2
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| Molecular Weight |
504.502
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| Canonical SMILES |
O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)[C@@H]2C=C[C@H]1C21CC1
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| InChI |
InChI=1S/C27H35Cl2N3O2/c28-19-6-5-18(22(29)17-19)9-13-31-26(34)24-21-8-7-20(27(21)10-11-27)23(24)25(33)30-12-1-2-14-32-15-3-4-16-32/h5-8,17,20-21,23-24H,1-4,9-16H2,(H,30,33)(H,31,34)/t20-,21+,23-,24-/m1/s1
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| InChIKey |
IPFWHVBSLPSAGT-CBJLPSGESA-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