General Information of the Compound
| Compound ID |
CP0902817
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| Compound Name |
(2S,3R)-((1R,3S)-3-(3-(2-(6-methoxypyridin-3-yl)acetamido)-1H-pyrazol-5-yl)cyclopentyl)3-cyano-2-methylazetidine-1-carboxylate
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| Structure |
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| Formula |
C22H26N6O4
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| Molecular Weight |
438.488
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4C[C@@H](C#N)[C@@H]4C)C3)[nH]n2)cn1
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| InChI |
InChI=1S/C22H26N6O4/c1-13-16(10-23)12-28(13)22(30)32-17-5-4-15(8-17)18-9-19(27-26-18)25-20(29)7-14-3-6-21(31-2)24-11-14/h3,6,9,11,13,15-17H,4-5,7-8,12H2,1-2H3,(H2,25,26,27,29)/t13-,15-,16+,17+/m0/s1
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| InChIKey |
SDUBOUUIXINQQG-QMCVQRASSA-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