General Information of the Compound
| Compound ID |
CP0301433
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| Compound Name |
phenyl N-[3-[5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]carbamate
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| Structure |
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| Formula |
C32H27N7O3S
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| Molecular Weight |
589.681
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| Canonical SMILES |
O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)Oc1ccccc1
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| InChI |
InChI=1S/C32H27N7O3S/c40-32(42-26-7-2-1-3-8-26)35-24-6-4-5-22(21-24)28-29(39-17-20-43-31(39)37-28)27-13-14-33-30(36-27)34-23-9-11-25(12-10-23)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,35,40)(H,33,34,36)
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| InChIKey |
VRTJYLZXQJQCPQ-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