General Information of the Compound
| Compound ID |
CP0859959
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| Compound Name |
1-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)-3-(2-cyclopropylphenyl)urea
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| Structure |
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| Formula |
C27H28N6O
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| Molecular Weight |
452.562
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| Canonical SMILES |
O=C(Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1)Nc1ccccc1C1CC1
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| InChI |
InChI=1S/C27H28N6O/c34-27(32-24-9-2-1-8-22(24)18-10-11-18)31-21-7-3-5-19(15-21)20-6-4-14-33(16-20)26-23-12-13-28-25(23)29-17-30-26/h1-3,5,7-9,12-13,15,17-18,20H,4,6,10-11,14,16H2,(H,28,29,30)(H2,31,32,34)
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| InChIKey |
NBNDVBQFGRHWMJ-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