General Information of the Compound
| Compound ID |
CP0154057
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| Compound Name |
phenyl (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 |
C30H35F3N4O5
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| Molecular Weight |
588.627
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)Oc1ccccc1
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| InChI |
InChI=1S/C30H35F3N4O5/c1-40-26-17-41-10-8-25(26)35-22-12-21-16-37(28(39)42-23-5-3-2-4-6-23)18-29(21,13-22)27(38)36-9-7-24-19(15-36)11-20(14-34-24)30(31,32)33/h2-6,11,14,21-22,25-26,35H,7-10,12-13,15-18H2,1H3/t21-,22+,25?,26?,29-/m0/s1
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| InChIKey |
SRISIJVSWGZWNN-PFTIHTFXSA-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