General Information of the Compound
| Compound ID |
CP0294580
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| Compound Name |
benzimidazole analogue, 7j
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| Formula |
C24H34ClN5OS
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| Molecular Weight |
476.09
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| Canonical SMILES |
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N3CCCC3=O)nc2cc1Cl
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| InChI |
InChI=1S/C24H34ClN5OS/c1-3-28-11-13-29(14-12-28)21-16-20-19(15-18(21)25)26-23(27-20)32-24(2)8-6-17(7-9-24)30-10-4-5-22(30)31/h15-17H,3-14H2,1-2H3,(H,26,27)/t17-,24-
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| InChIKey |
IKTSAJDKFAUOAJ-WVQHILGCSA-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