General Information of the Compound
| Compound ID |
CP0865423
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| Compound Name |
rac-1-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)-3-phenylurea
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| Structure |
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| Formula |
C24H24N6O
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| Molecular Weight |
412.497
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1
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| InChI |
InChI=1S/C24H24N6O/c31-24(28-19-8-2-1-3-9-19)29-20-10-4-6-17(14-20)18-7-5-13-30(15-18)23-21-11-12-25-22(21)26-16-27-23/h1-4,6,8-12,14,16,18H,5,7,13,15H2,(H,25,26,27)(H2,28,29,31)
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| InChIKey |
WTGSPWFNBNZLCR-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