General Information of the Compound
| Compound ID |
CP0468546
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| Compound Name |
4-[(E)-2-(1H-indol-3-yl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C18H21N7
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| Molecular Weight |
335.415
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc(\C=C\c2c[nH]c3ccccc23)n1
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| InChI |
InChI=1S/C18H21N7/c1-24-8-10-25(11-9-24)18-22-16(21-17(19)23-18)7-6-13-12-20-15-5-3-2-4-14(13)15/h2-7,12,20H,8-11H2,1H3,(H2,19,21,22,23)/b7-6+
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| InChIKey |
BDKRIPLJWHZQFE-VOTSOKGWSA-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