General Information of the Compound
| Compound ID |
CP0527674
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| Compound Name |
1-(4-chloro-2-methylphenyl)-3-[4-(1H-indol-3-ylsulfanyl)-6-morpholin-4-ylpyrimidin-2-yl]urea
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| Formula |
C24H23ClN6O2S
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| Molecular Weight |
495.008
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| Canonical SMILES |
Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCOCC1
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| InChI |
InChI=1S/C24H23ClN6O2S/c1-15-12-16(25)6-7-18(15)27-24(32)30-23-28-21(31-8-10-33-11-9-31)13-22(29-23)34-20-14-26-19-5-3-2-4-17(19)20/h2-7,12-14,26H,8-11H2,1H3,(H2,27,28,29,30,32)
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| InChIKey |
REXSPSRZCVHDCR-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