General Information of the Compound
| Compound ID |
CP0317447
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| Compound Name |
2-methoxyethyl (3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
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| Structure |
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| Formula |
C27H37F3N4O6
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| Molecular Weight |
570.609
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| Canonical SMILES |
COCCOC(=O)N1C[C@@H]2C[C@H](C[C@@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)NC1CCOCC1OC
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| InChI |
InChI=1S/C27H37F3N4O6/c1-37-7-8-40-25(36)34-14-19-10-20(32-22-4-6-39-15-23(22)38-2)11-26(19,16-34)24(35)33-5-3-21-17(13-33)9-18(12-31-21)27(28,29)30/h9,12,19-20,22-23,32H,3-8,10-11,13-16H2,1-2H3/t19-,20+,22?,23?,26-/m0/s1
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| InChIKey |
GFCLGHKFMNAGAK-YRURBQNNSA-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