General Information of the Compound
| Compound ID |
CP0378732
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| Compound Name |
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]amino]-4-methoxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C30H37N7O2
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| Molecular Weight |
527.673
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| Canonical SMILES |
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C30H37N7O2/c1-8-29(38)31-25-18-26(28(39-7)19-27(25)37(6)16-15-35(2)3)32-30-23-14-11-21(17-24(23)33-34-30)20-9-12-22(13-10-20)36(4)5/h8-14,17-19H,1,15-16H2,2-7H3,(H,31,38)(H2,32,33,34)
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| InChIKey |
CGTKMBSZFMJTQF-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