General Information of the Compound
| Compound ID |
CP0563706
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| Compound Name |
2-[(2Z)-2-[1-[1-ethyl-5-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]indol-3-yl]-2,2,2-trifluoroethylidene]hydrazinyl]-4-(4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
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| Formula |
C32H30F3N7O2S2
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| Molecular Weight |
665.767
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(OC)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCC[C@H]2CO)cs1
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| InChI |
InChI=1S/C32H30F3N7O2S2/c1-3-41-16-25(24-13-20(8-11-26(24)41)30-37-21(18-45-30)15-42-12-4-5-22(42)17-43)29(32(33,34)35)39-40-31-38-28(27(14-36)46-31)19-6-9-23(44-2)10-7-19/h6-11,13,16,18,22,43H,3-5,12,15,17H2,1-2H3,(H,38,40)/b39-29-/t22-/m0/s1
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| InChIKey |
KRPMQEGLUVNFKJ-HTIUQMMCSA-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