General Information of the Compound
| Compound ID |
CP0524812
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| Compound Name |
N-[(2S)-7-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H31F3N4O3
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| Molecular Weight |
552.597
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| Canonical SMILES |
CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@H]1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1
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| InChI |
InChI=1S/C30H31F3N4O3/c1-37(2)17-18-11-22(13-23(12-18)30(31,32)33)29(39)35-24-7-5-19-6-8-25(15-21(19)14-24)40-26-9-10-34-27(16-26)36-28(38)20-3-4-20/h6,8-13,15-16,20,24H,3-5,7,14,17H2,1-2H3,(H,35,39)(H,34,36,38)/t24-/m0/s1
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| InChIKey |
WYRQQURJJXPEAL-DEOSSOPVSA-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