General Information of the Compound
| Compound ID |
CP0565964
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| Compound Name |
N-[(1R)-2-(4-chlorophenyl)-1-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]ethyl]-2-pyridin-3-ylacetamide
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| Structure |
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| Formula |
C26H21ClN6O2
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| Molecular Weight |
484.947
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)Cc2cccnc2)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1
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| InChI |
InChI=1S/C26H21ClN6O2/c27-20-6-3-16(4-7-20)10-23(31-24(34)11-17-2-1-9-28-13-17)25-32-22-8-5-18(19-14-29-30-15-19)12-21(22)26(35)33-25/h1-9,12-15,23H,10-11H2,(H,29,30)(H,31,34)(H,32,33,35)/t23-/m1/s1
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| InChIKey |
BGLDOMKPCPRMTR-HSZRJFAPSA-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