General Information of the Compound
| Compound ID |
CP0564548
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| Compound Name |
2-[(2E)-2-[[5-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-6-fluoro-2-methyl-1H-indol-3-yl]methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
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| Formula |
C32H34F2N8OS
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| Molecular Weight |
616.742
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| Canonical SMILES |
CCN1CCN(CC1)C(=O)C1CCN(CC1)c1cc2c(\C=N\Nc3nc(c(s3)C#N)-c3ccc(F)cc3)c(C)[nH]c2cc1F
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| InChI |
InChI=1S/C32H34F2N8OS/c1-3-40-12-14-42(15-13-40)31(43)22-8-10-41(11-9-22)28-16-24-25(20(2)37-27(24)17-26(28)34)19-36-39-32-38-30(29(18-35)44-32)21-4-6-23(33)7-5-21/h4-7,16-17,19,22,37H,3,8-15H2,1-2H3,(H,38,39)/b36-19+
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| InChIKey |
NWZRFJILHOJOIF-ODNPBWNPSA-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