General Information of the Compound
| Compound ID |
CP0126406
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| Compound Name |
1-(cyclopentylmethyl)-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C22H32N4O2S
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| Molecular Weight |
416.591
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| Canonical SMILES |
COc1ccc(cc1OC)N(CC1CCCC1)C(=S)NCCCn1cncc1C
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| InChI |
InChI=1S/C22H32N4O2S/c1-17-14-23-16-25(17)12-6-11-24-22(29)26(15-18-7-4-5-8-18)19-9-10-20(27-2)21(13-19)28-3/h9-10,13-14,16,18H,4-8,11-12,15H2,1-3H3,(H,24,29)
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| InChIKey |
FRDFGWHXWAYSOC-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