General Information of the Compound
| Compound ID |
CP0552440
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| Compound Name |
6-(6-fluoro-1H-indol-3-yl)-1-(2-piperazin-1-ylethyl)benzotriazole
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| Formula |
C20H21FN6
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| Molecular Weight |
364.428
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| Canonical SMILES |
Fc1ccc2c(c[nH]c2c1)-c1ccc2nnn(CCN3CCNCC3)c2c1
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| InChI |
InChI=1S/C20H21FN6/c21-15-2-3-16-17(13-23-19(16)12-15)14-1-4-18-20(11-14)27(25-24-18)10-9-26-7-5-22-6-8-26/h1-4,11-13,22-23H,5-10H2
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| InChIKey |
NWBMXBXPSXUWBK-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