General Information of the Compound
| Compound ID |
CP0852721
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| Compound Name |
trans-4-{[4-Benzylamino-6-(1H-indazol-5-yl)-pyrimidin-2-ylamino]-methyl}-cyclohexane-carboxylic acid amide
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| Formula |
C26H29N7O
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| Molecular Weight |
455.566
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| Canonical SMILES |
NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(-c3ccc4[nH]ncc4c3)n2)CC1
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| InChI |
InChI=1S/C26H29N7O/c27-25(34)19-8-6-18(7-9-19)15-29-26-31-23(20-10-11-22-21(12-20)16-30-33-22)13-24(32-26)28-14-17-4-2-1-3-5-17/h1-5,10-13,16,18-19H,6-9,14-15H2,(H2,27,34)(H,30,33)(H2,28,29,31,32)/t18-,19-
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| InChIKey |
XBDONALUAKOWDJ-WGSAOQKQSA-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