General Information of the Compound
| Compound ID |
CP0553302
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| Compound Name |
N-[(Z)-[1-[1-ethyl-5-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-2,2,2-trifluoroethylidene]amino]-1,3-benzothiazol-2-amine
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| Formula |
C28H27F3N6S2
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| Molecular Weight |
568.694
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc3ccccc3s2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCCCC2)cs1
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| InChI |
InChI=1S/C28H27F3N6S2/c1-2-37-16-21(25(28(29,30)31)34-35-27-33-22-8-4-5-9-24(22)39-27)20-14-18(10-11-23(20)37)26-32-19(17-38-26)15-36-12-6-3-7-13-36/h4-5,8-11,14,16-17H,2-3,6-7,12-13,15H2,1H3,(H,33,35)/b34-25-
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| InChIKey |
LKCCSINORLEOQN-NQUVTRGKSA-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