General Information of the Compound
| Compound ID |
CP0503934
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| Compound Name |
5-[(4-(3S)-4-[(1R,2R)-2-methoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl-4-methylpiperidin-1-yl)carbonyl]-4,6-dimethylpyrimidine
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| Structure |
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| Formula |
C29H38F3N5O2
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| Molecular Weight |
545.65
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| Canonical SMILES |
CO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F
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| InChI |
InChI=1S/C29H38F3N5O2/c1-18-16-36(28(4)8-10-35(11-9-28)27(38)25-19(2)33-17-34-20(25)3)12-13-37(18)26-23-7-6-22(29(30,31)32)14-21(23)15-24(26)39-5/h6-7,14,17-18,24,26H,8-13,15-16H2,1-5H3/t18-,24+,26+/m0/s1
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| InChIKey |
NLPKHHZDESNXNS-GJECAEJISA-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