General Information of the Compound
| Compound ID |
CP0578958
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| Compound Name |
2-[(2Z)-2-[1-[1-ethyl-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-2,2,2-trifluoroethylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
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| Formula |
C30H25F4N7S2
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| Molecular Weight |
623.705
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(F)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCCC2)cs1
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| InChI |
InChI=1S/C30H25F4N7S2/c1-2-41-16-23(22-13-19(7-10-24(22)41)28-36-21(17-42-28)15-40-11-3-4-12-40)27(30(32,33)34)38-39-29-37-26(25(14-35)43-29)18-5-8-20(31)9-6-18/h5-10,13,16-17H,2-4,11-12,15H2,1H3,(H,37,39)/b38-27-
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| InChIKey |
LLJZLHLLLOLDEY-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