General Information of the Compound
| Compound ID |
CP0154584
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| Compound Name |
2-amino-N-[4-[2-amino-3-cyano-1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]oxyphenyl]acetamide
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| Structure |
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| Formula |
C21H22N6O3
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| Molecular Weight |
406.446
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| Canonical SMILES |
CN(C)C(=O)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
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| InChI |
InChI=1S/C21H22N6O3/c1-26(2)20(29)12-27-18-8-7-15(9-16(18)17(10-22)21(27)24)30-14-5-3-13(4-6-14)25-19(28)11-23/h3-9H,11-12,23-24H2,1-2H3,(H,25,28)
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| InChIKey |
VISHOEGWJXXUOW-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