General Information of the Compound
| Compound ID |
CP0549957
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| Compound Name |
cyclopentyl-[4-[[3-[(4-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-methylphenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C26H36N4O2S
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| Molecular Weight |
468.667
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| Canonical SMILES |
COC1CCCc2sc(Nc3cccc(CN4CCN(CC4)C(=O)C4CCCC4)c3C)nc12
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| InChI |
InChI=1S/C26H36N4O2S/c1-18-20(17-29-13-15-30(16-14-29)25(31)19-7-3-4-8-19)9-5-10-21(18)27-26-28-24-22(32-2)11-6-12-23(24)33-26/h5,9-10,19,22H,3-4,6-8,11-17H2,1-2H3,(H,27,28)
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| InChIKey |
IBHPNMQFVCWSCE-UHFFFAOYSA-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