General Information of the Compound
| Compound ID |
CP0553304
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| Compound Name |
4-(4-fluorophenyl)-2-[(2Z)-2-[2,2,2-trifluoro-1-[5-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-methylindol-3-yl]ethylidene]hydrazinyl]-1,3-thiazole-5-carbonitrile
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| Formula |
C30H25F4N7OS2
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| Molecular Weight |
639.704
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| Canonical SMILES |
Cn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(F)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCC(O)CC2)cs1
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| InChI |
InChI=1S/C30H25F4N7OS2/c1-40-15-23(22-12-18(4-7-24(22)40)28-36-20(16-43-28)14-41-10-8-21(42)9-11-41)27(30(32,33)34)38-39-29-37-26(25(13-35)44-29)17-2-5-19(31)6-3-17/h2-7,12,15-16,21,42H,8-11,14H2,1H3,(H,37,39)/b38-27-
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| InChIKey |
QGHOJLQCQRILPX-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