General Information of the Compound
| Compound ID |
CP0230957
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| Compound Name |
(cis)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)cyclohexane-1,4-diamine
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| Formula |
C17H26N4OS2
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| Molecular Weight |
366.556
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| Canonical SMILES |
CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CC[C@H](N)CC3)s2)o1
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| InChI |
InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12+
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| InChIKey |
JFSGUSJACVSEKX-TXEJJXNPSA-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