General Information of the Compound
| Compound ID |
CP0258415
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| Compound Name |
2-morpholin-4-ylethyl (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 |
C30H42F3N5O6
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| Molecular Weight |
625.689
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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)OCCN1CCOCC1
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| InChI |
InChI=1S/C30H42F3N5O6/c1-41-26-18-43-8-3-25(26)35-23-13-22-17-38(28(40)44-11-7-36-5-9-42-10-6-36)19-29(22,14-23)27(39)37-4-2-24-20(16-37)12-21(15-34-24)30(31,32)33/h12,15,22-23,25-26,35H,2-11,13-14,16-19H2,1H3/t22-,23+,25?,26?,29-/m0/s1
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| InChIKey |
ABHVKYFWPPHTHF-ZMSNHJSUSA-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