General Information of the Compound
| Compound ID |
CP0952724
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| Compound Name |
(5R)-N5-(5-Bromo-thiazol-2-yl)-(6R)-N6-(3-amino-3-oxopropyl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
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| Structure |
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| Formula |
C17H21BrN4O3S
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| Molecular Weight |
441.351
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| Canonical SMILES |
NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
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| InChI |
InChI=1S/C17H21BrN4O3S/c18-10-7-21-16(26-10)22-15(25)13-9-2-1-8(17(9)4-5-17)12(13)14(24)20-6-3-11(19)23/h7-9,12-13H,1-6H2,(H2,19,23)(H,20,24)(H,21,22,25)/t8-,9+,12-,13-/m1/s1
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| InChIKey |
LKXVHJSGUDHLOH-OTMMVIPVSA-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