General Information of the Compound
| Compound ID |
CP0422288
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| Compound Name |
2-[(2Z)-2-[1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-fluoro-2-methyl-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
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| Formula |
C29H29F5N8S
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| Molecular Weight |
616.664
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)c1cc2c(\C(=N\Nc3nc(c(s3)C#N)-c3ccc(F)cc3)C(F)(F)F)c(C)[nH]c2cc1F
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| InChI |
InChI=1S/C29H29F5N8S/c1-17-25(20-14-23(21(31)15-22(20)36-17)42-12-10-41(11-13-42)9-8-40(2)3)27(29(32,33)34)38-39-28-37-26(24(16-35)43-28)18-4-6-19(30)7-5-18/h4-7,14-15,36H,8-13H2,1-3H3,(H,37,39)/b38-27-
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| InChIKey |
VKKORIAROAMRBW-SPKJYZRXSA-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
Protein ID: PT01786, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Cell Viability or Cytotoxicity Assay