General Information of the Compound
| Compound ID |
CP0955972
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| Compound Name |
1-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)-3-(4-chlorophenyl)urea
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| Structure |
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| Formula |
C24H23ClN6O
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| Molecular Weight |
446.942
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| Canonical SMILES |
O=C(Nc1ccc(Cl)cc1)Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1
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| InChI |
InChI=1S/C24H23ClN6O/c25-18-6-8-19(9-7-18)29-24(32)30-20-5-1-3-16(13-20)17-4-2-12-31(14-17)23-21-10-11-26-22(21)27-15-28-23/h1,3,5-11,13,15,17H,2,4,12,14H2,(H,26,27,28)(H2,29,30,32)
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| InChIKey |
SJIGEJXAWFWVOA-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