General Information of the Compound
| Compound ID |
CP0526327
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| Compound Name |
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(2-(2-fluorophenyl)thiazol-4-yl)methanone
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| Structure |
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| Formula |
C24H21FN4O2S
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| Molecular Weight |
448.523
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| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1csc(n1)-c1ccccc1F
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| InChI |
InChI=1S/C24H21FN4O2S/c1-15-13-28(24(31)21-14-32-22(27-21)18-4-2-3-5-19(18)25)10-11-29(15)23(30)17-7-6-16-8-9-26-20(16)12-17/h2-9,12,14-15,26H,10-11,13H2,1H3/t15-/m0/s1
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| InChIKey |
ZKMQYKBYHFLJRB-HNNXBMFYSA-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