General Information of the Compound
| Compound ID |
CP0964129
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| Compound Name |
(R)-2((1H-indol-3-yl)thio)-N-(1-phenylethyl)acetamide
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| Formula |
C18H18N2OS
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| Molecular Weight |
310.422
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| Canonical SMILES |
C[C@@H](NC(=O)CSc1c[nH]c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C18H18N2OS/c1-13(14-7-3-2-4-8-14)20-18(21)12-22-17-11-19-16-10-6-5-9-15(16)17/h2-11,13,19H,12H2,1H3,(H,20,21)/t13-/m1/s1
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| InChIKey |
UIDSDWKVJVRPHH-CYBMUJFWSA-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