General Information of the Compound
| Compound ID |
CP0577867
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| Compound Name |
[4-[[3-(1,3-benzothiazol-2-ylamino)-5-chloro-2-methylphenyl]methyl]piperazin-1-yl]-cyclopentylmethanone
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| Structure |
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| Formula |
C25H29ClN4OS
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| Molecular Weight |
469.054
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| Canonical SMILES |
Cc1c(CN2CCN(CC2)C(=O)C2CCCC2)cc(Cl)cc1Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C25H29ClN4OS/c1-17-19(16-29-10-12-30(13-11-29)24(31)18-6-2-3-7-18)14-20(26)15-22(17)28-25-27-21-8-4-5-9-23(21)32-25/h4-5,8-9,14-15,18H,2-3,6-7,10-13,16H2,1H3,(H,27,28)
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| InChIKey |
ATDUOZTWAARLJK-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