General Information of the Compound
| Compound ID |
CP0552346
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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-methoxyphenyl)-1,3-thiazole-5-carbonitrile
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| Formula |
C30H32F4N8OS
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| Molecular Weight |
628.7
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(N\N=C(\c2c(C)[nH]c3cc(F)c(cc23)N2CCN(CCN(C)C)CC2)C(F)(F)F)sc1C#N
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| InChI |
InChI=1S/C30H32F4N8OS/c1-18-26(21-15-24(22(31)16-23(21)36-18)42-13-11-41(12-14-42)10-9-40(2)3)28(30(32,33)34)38-39-29-37-27(25(17-35)44-29)19-5-7-20(43-4)8-6-19/h5-8,15-16,36H,9-14H2,1-4H3,(H,37,39)/b38-28-
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| InChIKey |
DDNPBXZHFCKIGH-AWYAZMPSSA-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