General Information of the Compound
| Compound ID |
CP0441188
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| Compound Name |
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-(1H-indazol-3-ylamino)-4-methoxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C22H28N6O2
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| Molecular Weight |
408.506
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| Canonical SMILES |
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2ccccc12
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| InChI |
InChI=1S/C22H28N6O2/c1-6-21(29)23-17-13-18(24-22-15-9-7-8-10-16(15)25-26-22)20(30-5)14-19(17)28(4)12-11-27(2)3/h6-10,13-14H,1,11-12H2,2-5H3,(H,23,29)(H2,24,25,26)
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| InChIKey |
FHJIFWIXZSYZDF-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