General Information of the Compound
| Compound ID |
CP0568796
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| Compound Name |
1-[4-(1H-indol-3-ylsulfanyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3-phenylurea
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| Formula |
C28H26N8OS
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| Molecular Weight |
522.638
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C28H26N8OS/c37-28(31-20-8-2-1-3-9-20)34-27-32-25(36-16-14-35(15-17-36)24-12-6-7-13-29-24)18-26(33-27)38-23-19-30-22-11-5-4-10-21(22)23/h1-13,18-19,30H,14-17H2,(H2,31,32,33,34,37)
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| InChIKey |
XMACQIMBANOCGH-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