General Information of the Compound
| Compound ID |
CP0816827
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| Compound Name |
(+/-)-methyl 3-(5-chloro-6-(4-ethylpiperazin-1-yl)-1H-benzo[d]imidazol-2-ylthio)-3-methylcyclopentylcarbamate
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| Structure |
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| Formula |
C21H30ClN5O2S
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| Molecular Weight |
452.024
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| Canonical SMILES |
CCN1CCN(c2cc3[nH]c(SC4(C)CCC(NC(=O)OC)C4)nc3cc2Cl)CC1
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| InChI |
InChI=1S/C21H30ClN5O2S/c1-4-26-7-9-27(10-8-26)18-12-17-16(11-15(18)22)24-19(25-17)30-21(2)6-5-14(13-21)23-20(28)29-3/h11-12,14H,4-10,13H2,1-3H3,(H,23,28)(H,24,25)
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| InChIKey |
CDOAKUQOANRBJU-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