General Information of the Compound
| Compound ID |
CP0900929
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| Compound Name |
(5R*)-N5-(4-Acetyl-thiazol-2-yl-methyl)-(6R*)-N6-(3-(1H-benzoimidazol-2-yl)-propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C27H29N5O3S
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| Molecular Weight |
503.628
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| Canonical SMILES |
CC(=O)c1csc(CNC(=O)[C@H]2[C@H](C(=O)NCCCc3nc4ccccc4[nH]3)[C@H]3C=C[C@@H]2C32CC2)n1
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| InChI |
InChI=1S/C27H29N5O3S/c1-15(33)20-14-36-22(32-20)13-29-26(35)24-17-9-8-16(27(17)10-11-27)23(24)25(34)28-12-4-7-21-30-18-5-2-3-6-19(18)31-21/h2-3,5-6,8-9,14,16-17,23-24H,4,7,10-13H2,1H3,(H,28,34)(H,29,35)(H,30,31)/t16-,17+,23-,24-/m1/s1
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| InChIKey |
HZTJKVZCSQNDLY-UOIPHLHCSA-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