General Information of the Compound
| Compound ID |
CP0865422
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| Compound Name |
1-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)-3-(2-(2-cyanopropan-2-yl)phenyl)urea
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| Structure |
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| Formula |
C28H29N7O
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| Molecular Weight |
479.588
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| Canonical SMILES |
CC(C)(C#N)c1ccccc1NC(=O)Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1
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| InChI |
InChI=1S/C28H29N7O/c1-28(2,17-29)23-10-3-4-11-24(23)34-27(36)33-21-9-5-7-19(15-21)20-8-6-14-35(16-20)26-22-12-13-30-25(22)31-18-32-26/h3-5,7,9-13,15,18,20H,6,8,14,16H2,1-2H3,(H,30,31,32)(H2,33,34,36)
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| InChIKey |
HPBRXEGNHJSTAO-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