General Information of the Compound
| Compound ID |
CP0953378
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| Compound Name |
(1S,3R)-3-(3-(2-(6-methoxypyridin-3-yl)acetamido)-1H-pyrazol-5-yl)cyclopentyl 2,2-dimethylazetidine-1-carboxylate
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| Structure |
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| Formula |
C22H29N5O4
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| Molecular Weight |
427.505
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1
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| InChI |
InChI=1S/C22H29N5O4/c1-22(2)8-9-27(22)21(29)31-16-6-5-15(11-16)17-12-18(26-25-17)24-19(28)10-14-4-7-20(30-3)23-13-14/h4,7,12-13,15-16H,5-6,8-11H2,1-3H3,(H2,24,25,26,28)/t15-,16+/m1/s1
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| InChIKey |
NIOMHCDHWWSVMY-CVEARBPZSA-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