General Information of the Compound
| Compound ID |
CP0373984
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| Compound Name |
(4,6-dimethylpyrimidin-5-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 |
C31H40F3N5O2
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| Molecular Weight |
571.688
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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)ncnc1C)C(F)(F)F
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| InChI |
InChI=1S/C31H40F3N5O2/c1-5-41-27-13-21-10-24(31(32,33)34)6-7-26(21)29(27)39-9-8-37(14-18(39)2)25-11-22-15-38(16-23(22)12-25)30(40)28-19(3)35-17-36-20(28)4/h6-7,10,17-18,22-23,25,27,29H,5,8-9,11-16H2,1-4H3/t18-,22-,23+,25?,27-,29-/m0/s1
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| InChIKey |
YFGSQEFJCPERJH-HBDPTTFZSA-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