General Information of the Compound
| Compound ID |
CP0553301
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| Compound Name |
N-[(Z)-[1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-2,2,2-trifluoroethylidene]amino]-1,3-benzothiazol-2-amine
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| Formula |
C27H25F3N6OS2
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| Molecular Weight |
570.666
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc3ccccc3s2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCOCC2)cs1
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| InChI |
InChI=1S/C27H25F3N6OS2/c1-2-36-15-20(24(27(28,29)30)33-34-26-32-21-5-3-4-6-23(21)39-26)19-13-17(7-8-22(19)36)25-31-18(16-38-25)14-35-9-11-37-12-10-35/h3-8,13,15-16H,2,9-12,14H2,1H3,(H,32,34)/b33-24-
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| InChIKey |
LFJVYRGVJWCQKX-GIBOGKFOSA-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