General Information of the Compound
| Compound ID |
CP0484990
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| Compound Name |
CHEMBL4748895
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| Formula |
C22H21ClN4O
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| Molecular Weight |
392.89
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| Canonical SMILES |
Clc1ccc-2c(c1)C1CC1c1nnc([C@@H]3CC[C@@H](CC3)Oc3ccccn3)n-21
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| InChI |
InChI=1S/C22H21ClN4O/c23-14-6-9-19-17(11-14)16-12-18(16)22-26-25-21(27(19)22)13-4-7-15(8-5-13)28-20-3-1-2-10-24-20/h1-3,6,9-11,13,15-16,18H,4-5,7-8,12H2/t13-,15+,16?,18?
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| InChIKey |
HSXSAGFBHFCRCN-GUYOCYMRSA-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