General Information of the Compound
| Compound ID |
CP0421746
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| Compound Name |
5-[4-chloro-6-[2-[(5-chloropyridin-2-yl)methyl]pyrazol-3-yl]benzotriazol-1-yl]-1,3-dihydrobenzimidazol-2-one
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| Structure |
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| Formula |
C22H14Cl2N8O
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| Molecular Weight |
477.315
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| Canonical SMILES |
Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)nc1
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| InChI |
InChI=1S/C22H14Cl2N8O/c23-13-1-2-14(25-10-13)11-31-19(5-6-26-31)12-7-16(24)21-20(8-12)32(30-29-21)15-3-4-17-18(9-15)28-22(33)27-17/h1-10H,11H2,(H2,27,28,33)
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| InChIKey |
KFGULMUSOJKNHW-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