General Information of the Compound
| Compound ID |
CP0943873
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| Compound Name |
(1R,3S)-3-(3-(2-(6-methoxypyridin-3-yl)acetamido)-1H-pyrazol-5-yl)cyclopentyl 2-(hydroxymethyl)butylcarbamate
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| Structure |
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| Formula |
C22H31N5O5
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| Molecular Weight |
445.52
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| Canonical SMILES |
CCC(CO)CNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccc(OC)nc3)n[nH]2)C1
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| InChI |
InChI=1S/C22H31N5O5/c1-3-14(13-28)11-24-22(30)32-17-6-5-16(9-17)18-10-19(27-26-18)25-20(29)8-15-4-7-21(31-2)23-12-15/h4,7,10,12,14,16-17,28H,3,5-6,8-9,11,13H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t14?,16-,17+/m0/s1
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| InChIKey |
BFXPDORMGAUHQH-MWSTZMHHSA-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