General Information of the Compound
| Compound ID |
CP0094117
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| Compound Name |
benzimidazole analogue, 7i
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| Formula |
C21H32ClN5O2S2
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| Molecular Weight |
486.107
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| Canonical SMILES |
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NS(C)(=O)=O)nc2cc1Cl
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| InChI |
InChI=1S/C21H32ClN5O2S2/c1-4-26-9-11-27(12-10-26)19-14-18-17(13-16(19)22)23-20(24-18)30-21(2)7-5-15(6-8-21)25-31(3,28)29/h13-15,25H,4-12H2,1-3H3,(H,23,24)/t15-,21-
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| InChIKey |
DGQCODLOOZUGMQ-WEHONNDLSA-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