General Information of the Compound
Compound ID |
CP0240236
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Compound Name |
1-[4-[2-[[6-[4-(2-morpholin-4-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea
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Structure |
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Formula |
C33H34N6O4
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Molecular Weight |
578.673
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Canonical SMILES |
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCOCC3)cc2)cc1
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InChI |
InChI=1S/C33H34N6O4/c40-33(37-26-4-2-1-3-5-26)38-27-10-6-24(7-11-27)14-15-34-31-29-22-30(43-32(29)36-23-35-31)25-8-12-28(13-9-25)42-21-18-39-16-19-41-20-17-39/h1-13,22-23H,14-21H2,(H,34,35,36)(H2,37,38,40)
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InChIKey |
RYRNCJFZRJMLKN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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