General Information of the Compound
| Compound ID |
CP0868440
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| Compound Name |
trans-4-{[4-Benzylamino-6-(1H-indol-5-yl)-pyrimidin-2-ylamino]-methyl}-cyclohexane-carboxylic acid amide
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| Formula |
C27H30N6O
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| Molecular Weight |
454.578
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| Canonical SMILES |
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccc4[nH]ccc4c3)n2)CC1
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| InChI |
InChI=1S/C27H30N6O/c28-26(34)20-8-6-19(7-9-20)17-31-27-32-24(21-10-11-23-22(14-21)12-13-29-23)15-25(33-27)30-16-18-4-2-1-3-5-18/h1-5,10-15,19-20,29H,6-9,16-17H2,(H2,28,34)(H2,30,31,32,33)/t19-,20-
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| InChIKey |
LJIJDHSXMUSZQW-MXVIHJGJSA-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