General Information of the Compound
| Compound ID |
CP0517747
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| Compound Name |
1-phenyl-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propyl]urea
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| Structure |
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| Formula |
C21H26N6O
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| Molecular Weight |
378.48
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| Canonical SMILES |
O=C(NCCCC1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1
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| InChI |
InChI=1S/C21H26N6O/c28-21(26-17-8-2-1-3-9-17)23-11-4-6-16-7-5-13-27(14-16)20-18-10-12-22-19(18)24-15-25-20/h1-3,8-10,12,15-16H,4-7,11,13-14H2,(H,22,24,25)(H2,23,26,28)
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| InChIKey |
MHOYKSXPBVIZEF-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