General Information of the Compound
| Compound ID |
CP0547871
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| Compound Name |
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(1H-indazol-3-ylamino)phenyl]prop-2-enamide
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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 |
CN(C)CCN(C)c1ccc(Nc2n[nH]c3ccccc23)cc1NC(=O)C=C
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| InChI |
InChI=1S/C21H26N6O/c1-5-20(28)23-18-14-15(10-11-19(18)27(4)13-12-26(2)3)22-21-16-8-6-7-9-17(16)24-25-21/h5-11,14H,1,12-13H2,2-4H3,(H,23,28)(H2,22,24,25)
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| InChIKey |
MLUSPHXLWLGAGE-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