General Information of the Compound
| Compound ID |
CP0221444
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| Compound Name |
4-(4-(1H-indol-3-yl)-5-methylpyrimidin-2-ylamino)-N-ethylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C21H26N6O
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| Molecular Weight |
378.48
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| Canonical SMILES |
CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
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| InChIKey |
UGZLJUFPCPHHSW-UHFFFAOYSA-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