General Information of the Compound
| Compound ID |
CP0383110
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| Compound Name |
(2,4-dimethylpyridin-3-yl)((3aR,6aS)-5-((S)-4-((1S,2S)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)methanone
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| Structure |
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| Formula |
C32H41F3N4O2
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| Molecular Weight |
570.7
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| Canonical SMILES |
CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ccnc1C)C(F)(F)F
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| InChI |
InChI=1S/C32H41F3N4O2/c1-5-41-28-15-22-12-25(32(33,34)35)6-7-27(22)30(28)39-11-10-37(16-20(39)3)26-13-23-17-38(18-24(23)14-26)31(40)29-19(2)8-9-36-21(29)4/h6-9,12,20,23-24,26,28,30H,5,10-11,13-18H2,1-4H3/t20-,23-,24+,26?,28-,30-/m0/s1
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| InChIKey |
ZVCWTGCCXHXVSG-SLZGBXGZSA-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