General Information of the Compound
| Compound ID |
CP0928914
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| Compound Name |
1-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)-3-(2-(piperidin-1-yl)phenyl)urea
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| Structure |
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| Formula |
C29H33N7O
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| Molecular Weight |
495.631
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| Canonical SMILES |
O=C(Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1)Nc1ccccc1N1CCCCC1
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| InChI |
InChI=1S/C29H33N7O/c37-29(34-25-11-2-3-12-26(25)35-15-4-1-5-16-35)33-23-10-6-8-21(18-23)22-9-7-17-36(19-22)28-24-13-14-30-27(24)31-20-32-28/h2-3,6,8,10-14,18,20,22H,1,4-5,7,9,15-17,19H2,(H,30,31,32)(H2,33,34,37)
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| InChIKey |
NSVAODWRRXRPHA-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