General Information of the Compound
| Compound ID |
CP0549964
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| Compound Name |
cyclopentyl-[4-[[3-[[(4E)-4-hydroxyimino-6,7-dihydro-5H-1,3-benzothiazol-2-yl]amino]-2-methylphenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C25H33N5O2S
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| Molecular Weight |
467.639
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| Canonical SMILES |
Cc1c(CN2CCN(CC2)C(=O)C2CCCC2)cccc1Nc1nc2c(CCC\C2=N/O)s1
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| InChI |
InChI=1S/C25H33N5O2S/c1-17-19(16-29-12-14-30(15-13-29)24(31)18-6-2-3-7-18)8-4-9-20(17)26-25-27-23-21(28-32)10-5-11-22(23)33-25/h4,8-9,18,32H,2-3,5-7,10-16H2,1H3,(H,26,27)/b28-21+
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| InChIKey |
ICTVMUIVBRMGRN-SGWCAAJKSA-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