General Information of the Compound
| Compound ID |
CP0901903
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| Compound Name |
(5R*)-N5-(2-Methyl-pyridin-5-yl)-(6R*)-N6-(4-pyrrolidin-1-yl-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide hydrochloride
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| Structure |
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| Formula |
C25H35ClN4O2
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| Molecular Weight |
459.034
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| Canonical SMILES |
Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cn1.Cl
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| InChI |
InChI=1S/C25H34N4O2.ClH/c1-17-6-7-18(16-27-17)28-24(31)22-20-9-8-19(25(20)10-11-25)21(22)23(30)26-12-2-3-13-29-14-4-5-15-29;/h6-9,16,19-22H,2-5,10-15H2,1H3,(H,26,30)(H,28,31);1H/t19-,20+,21-,22-;/m1./s1
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| InChIKey |
SNCFFBIEESGULK-ZFGQPQRZSA-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