General Information of the Compound
| Compound ID |
CP0548789
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| Compound Name |
4-(1H-indol-3-ylmethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C17H21N7
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| Molecular Weight |
323.404
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc(Cc2c[nH]c3ccccc23)n1
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| InChI |
InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)17-21-15(20-16(18)22-17)10-12-11-19-14-5-3-2-4-13(12)14/h2-5,11,19H,6-10H2,1H3,(H2,18,20,21,22)
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| InChIKey |
UJCHUXZLJMJSPN-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