General Information of the Compound
| Compound ID |
CP0506409
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| Compound Name |
1-hexyl-1-[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)pentyl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C21H35N5OS
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| Molecular Weight |
405.612
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| Canonical SMILES |
CCCCCCN(CCCCCSc1nc2ccc[nH]c2n1)C(=O)NC(C)C
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| InChI |
InChI=1S/C21H35N5OS/c1-4-5-6-8-14-26(21(27)23-17(2)3)15-9-7-10-16-28-20-24-18-12-11-13-22-19(18)25-20/h11-13,17H,4-10,14-16H2,1-3H3,(H,23,27)(H,22,24,25)
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| InChIKey |
MOOWVSMZYMZMOH-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