General Information of the Compound
| Compound ID |
CP0861397
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| Compound Name |
(5R)-N5-(5-Bromo-thiazol-2-yl)-(6R)-N6,N6-(3-(aminomethyl)pentane-1,5-diyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C20H25BrN4O2S
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| Molecular Weight |
465.417
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| Canonical SMILES |
NCC1CCN(C(=O)[C@H]2[C@H](C(=O)Nc3ncc(Br)s3)[C@@H]3C=C[C@H]2C32CC2)CC1
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| InChI |
InChI=1S/C20H25BrN4O2S/c21-14-10-23-19(28-14)24-17(26)15-12-1-2-13(20(12)5-6-20)16(15)18(27)25-7-3-11(9-22)4-8-25/h1-2,10-13,15-16H,3-9,22H2,(H,23,24,26)/t12-,13+,15+,16+/m0/s1
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| InChIKey |
YHEOWQIBJDATHO-SJXGUFTOSA-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