General Information of the Compound
| Compound ID |
CP0561709
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| Compound Name |
N-[(Z)-[1-[1-ethyl-5-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]indol-3-yl]-2,2,2-trifluoroethylidene]amino]-1,3-benzothiazol-2-amine
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| Formula |
C29H29F3N6S2
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| Molecular Weight |
582.721
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc3ccccc3s2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCC(C)CC2)cs1
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| InChI |
InChI=1S/C29H29F3N6S2/c1-3-38-16-22(26(29(30,31)32)35-36-28-34-23-6-4-5-7-25(23)40-28)21-14-19(8-9-24(21)38)27-33-20(17-39-27)15-37-12-10-18(2)11-13-37/h4-9,14,16-18H,3,10-13,15H2,1-2H3,(H,34,36)/b35-26-
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| InChIKey |
PRLSWLLNRUNREN-JYUHDHNASA-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