General Information of the Compound
| Compound ID |
CP0688211
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| Compound Name |
(S)-4-(3-(But-2-ynamido)piperidin-1-yl)-2,3-dimethyl-1H-indole-7-carboxamide
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| Structure |
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| Formula |
C20H24N4O2
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| Molecular Weight |
352.438
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| Canonical SMILES |
CC#CC(=O)N[C@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
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| InChI |
InChI=1S/C20H24N4O2/c1-4-6-17(25)23-14-7-5-10-24(11-14)16-9-8-15(20(21)26)19-18(16)12(2)13(3)22-19/h8-9,14,22H,5,7,10-11H2,1-3H3,(H2,21,26)(H,23,25)/t14-/m0/s1
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| InChIKey |
FINWLFMFLDVOFY-AWEZNQCLSA-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