General Information of the Compound
| Compound ID |
CP0155510
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| Compound Name |
2,2-dimethylpropyl (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 |
C29H41F3N4O5
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| Molecular Weight |
582.664
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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)OCC(C)(C)C
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| InChI |
InChI=1S/C29H41F3N4O5/c1-27(2,3)17-41-26(38)36-14-20-10-21(34-23-6-8-40-15-24(23)39-4)11-28(20,16-36)25(37)35-7-5-22-18(13-35)9-19(12-33-22)29(30,31)32/h9,12,20-21,23-24,34H,5-8,10-11,13-17H2,1-4H3/t20-,21+,23?,24?,28-/m0/s1
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| InChIKey |
TYFKRMJBENGBEF-FHISFJDYSA-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