General Information of the Compound
| Compound ID |
CP0498776
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| Compound Name |
(R)-2-((1S,3S,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)propyl Diethylcarbamate
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| Structure |
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| Formula |
C22H35N5O2
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| Molecular Weight |
401.555
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| Canonical SMILES |
CCN(CC)C(=O)OC[C@H](C)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C22H35N5O2/c1-6-27(7-2)22(28)29-13-16(4)17-9-8-15(3)19(12-17)26(5)21-18-10-11-23-20(18)24-14-25-21/h10-11,14-17,19H,6-9,12-13H2,1-5H3,(H,23,24,25)/t15-,16+,17+,19+/m1/s1
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| InChIKey |
UPDNWHLGXZFKKW-DFEOGRTESA-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