General Information of the Compound
| Compound ID |
CP0953447
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| Compound Name |
(R)-N-(2-amino-1-(5-(hydroxymethyl)thiazol-2-yl)ethyl)-6-chloro-1H-indole-2-carboxamide
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| Formula |
C15H15ClN4O2S
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| Molecular Weight |
350.831
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| Canonical SMILES |
NC[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ncc(CO)s1
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| InChI |
InChI=1S/C15H15ClN4O2S/c16-9-2-1-8-3-12(19-11(8)4-9)14(22)20-13(5-17)15-18-6-10(7-21)23-15/h1-4,6,13,19,21H,5,7,17H2,(H,20,22)/t13-/m1/s1
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| InChIKey |
WCAHCXMCMAIQLR-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