General Information of the Compound
| Compound ID |
CP0565995
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| Compound Name |
1-[4-(1H-indol-3-ylsulfanyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]-3-phenylurea
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| Formula |
C23H22N6OS
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| Molecular Weight |
430.537
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCCC1
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| InChI |
InChI=1S/C23H22N6OS/c30-23(25-16-8-2-1-3-9-16)28-22-26-20(29-12-6-7-13-29)14-21(27-22)31-19-15-24-18-11-5-4-10-17(18)19/h1-5,8-11,14-15,24H,6-7,12-13H2,(H2,25,26,27,28,30)
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| InChIKey |
VBTXXQGRSUTSDQ-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