General Information of the Compound
| Compound ID |
CP0177090
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| Compound Name |
3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylpyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C19H21ClN6O
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| Molecular Weight |
384.871
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| Canonical SMILES |
CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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| InChIKey |
WUFVFWHZRSJNAV-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