General Information of the Compound
| Compound ID |
CP0299306
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| Compound Name |
benzimidazole analogue, 7g
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| Formula |
C22H32ClN5OS
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| Molecular Weight |
450.052
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| Canonical SMILES |
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(C)=O)nc2cc1Cl
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| InChI |
InChI=1S/C22H32ClN5OS/c1-4-27-9-11-28(12-10-27)20-14-19-18(13-17(20)23)25-21(26-19)30-22(3)7-5-16(6-8-22)24-15(2)29/h13-14,16H,4-12H2,1-3H3,(H,24,29)(H,25,26)/t16-,22-
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| InChIKey |
PIINFVJVFRCBPD-CIEDQVTBSA-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