General Information of the Compound
| Compound ID |
CP0394424
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| Compound Name |
4-ethyl-4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
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| Structure |
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| Formula |
C22H31N3O4S
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| Molecular Weight |
433.574
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| Canonical SMILES |
CCC1(O)CCC(C)(CC1)C(=O)Nc1nc2c(OC)ccc(N3CCOCC3)c2s1
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| InChI |
InChI=1S/C22H31N3O4S/c1-4-22(27)9-7-21(2,8-10-22)19(26)24-20-23-17-16(28-3)6-5-15(18(17)30-20)25-11-13-29-14-12-25/h5-6,27H,4,7-14H2,1-3H3,(H,23,24,26)
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| InChIKey |
IORLBYTXGBSKRB-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