General Information of the Compound
| Compound ID |
CP0511796
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| Compound Name |
1-[4-(4-benzylpiperazin-1-yl)-6-(1H-indol-3-ylsulfanyl)pyrimidin-2-yl]-3-(2,5-dimethylphenyl)urea
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| Formula |
C32H33N7OS
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| Molecular Weight |
563.731
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| Canonical SMILES |
Cc1ccc(C)c(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCN(Cc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C32H33N7OS/c1-22-12-13-23(2)27(18-22)34-32(40)37-31-35-29(39-16-14-38(15-17-39)21-24-8-4-3-5-9-24)19-30(36-31)41-28-20-33-26-11-7-6-10-25(26)28/h3-13,18-20,33H,14-17,21H2,1-2H3,(H2,34,35,36,37,40)
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| InChIKey |
LUWRMSJEURYQKP-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