General Information of the Compound
| Compound ID |
CP0448721
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| Compound Name |
1-[4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C27H29N5O3S
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| Molecular Weight |
503.628
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3s2)cc1
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| InChI |
InChI=1S/C27H29N5O3S/c33-26(29-21-4-2-1-3-5-21)30-22-8-6-20(7-9-22)19-28-27-31-24-11-10-23(18-25(24)36-27)35-17-14-32-12-15-34-16-13-32/h1-11,18H,12-17,19H2,(H,28,31)(H2,29,30,33)
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| InChIKey |
TXNBTKDSNILSCX-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