General Information of the Compound
| Compound ID |
CP0859960
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| Compound Name |
1-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)-3-(2-tert-butylphenyl)urea
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| Structure |
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| Formula |
C28H32N6O
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| Molecular Weight |
468.605
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| Canonical SMILES |
CC(C)(C)c1ccccc1NC(=O)Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1
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| InChI |
InChI=1S/C28H32N6O/c1-28(2,3)23-11-4-5-12-24(23)33-27(35)32-21-10-6-8-19(16-21)20-9-7-15-34(17-20)26-22-13-14-29-25(22)30-18-31-26/h4-6,8,10-14,16,18,20H,7,9,15,17H2,1-3H3,(H,29,30,31)(H2,32,33,35)
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| InChIKey |
QCPACTFNNCNRGM-UHFFFAOYSA-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