General Information of the Compound
| Compound ID |
CP0565399
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| Compound Name |
5-(1H-indol-3-yl)-1-(piperidin-4-ylmethyl)benzotriazole
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| Formula |
C20H21N5
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| Molecular Weight |
331.423
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| Canonical SMILES |
C(C1CCNCC1)n1nnc2cc(ccc12)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C20H21N5/c1-2-4-18-16(3-1)17(12-22-18)15-5-6-20-19(11-15)23-24-25(20)13-14-7-9-21-10-8-14/h1-6,11-12,14,21-22H,7-10,13H2
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| InChIKey |
NBQLAWNYPHEUQJ-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