General Information of the Compound
| Compound ID |
CP0958114
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| Compound Name |
(R)-N-(2-amino-1-(5-(hydroxymethyl)-4-methylthiazol-2-yl)ethyl)-5-chloro-1H-indole-2-carboxamide
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| Formula |
C16H17ClN4O2S
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| Molecular Weight |
364.858
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| Canonical SMILES |
Cc1nc([C@@H](CN)NC(=O)c2cc3cc(Cl)ccc3[nH]2)sc1CO
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| InChI |
InChI=1S/C16H17ClN4O2S/c1-8-14(7-22)24-16(19-8)13(6-18)21-15(23)12-5-9-4-10(17)2-3-11(9)20-12/h2-5,13,20,22H,6-7,18H2,1H3,(H,21,23)/t13-/m1/s1
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| InChIKey |
VHNPCDRDZCXODT-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