General Information of the Compound
| Compound ID |
CP0578644
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| Compound Name |
3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynylbenzamide
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| Structure |
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| Formula |
C20H16N4O2
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| Molecular Weight |
344.374
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| Canonical SMILES |
C=CC(=O)Nc1cc(cc(c1)-c1n[nH]c2ccccc12)C(=O)NCC#C
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| InChI |
InChI=1S/C20H16N4O2/c1-3-9-21-20(26)14-10-13(11-15(12-14)22-18(25)4-2)19-16-7-5-6-8-17(16)23-24-19/h1,4-8,10-12H,2,9H2,(H,21,26)(H,22,25)(H,23,24)
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| InChIKey |
QLVGPPRZJNJOLD-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