General Information of the Compound
| Compound ID |
CP0085707
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| Compound Name |
(E)-1-[(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]pyrrol-2-yl]-4,4-dimethylpent-2-en-1-one
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| Structure |
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| Formula |
C30H41F3N4O4
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| Molecular Weight |
578.676
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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)\C=C\C(C)(C)C
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| InChI |
InChI=1S/C30H41F3N4O4/c1-28(2,3)8-5-26(38)37-16-21-12-22(35-24-7-10-41-17-25(24)40-4)13-29(21,18-37)27(39)36-9-6-23-19(15-36)11-20(14-34-23)30(31,32)33/h5,8,11,14,21-22,24-25,35H,6-7,9-10,12-13,15-18H2,1-4H3/b8-5+/t21-,22+,24?,25?,29-/m0/s1
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| InChIKey |
RBPWWKWEALRORD-WHRGNPDBSA-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