General Information of the Compound
| Compound ID |
CP0524064
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| Compound Name |
(E)-N-[4-(3-chloroanilino)quinazolin-6-yl]-3-pyridin-3-ylprop-2-enamide
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| Structure |
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| Formula |
C22H16ClN5O
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| Molecular Weight |
401.857
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\c4cccnc4)cc23)c1
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| InChI |
InChI=1S/C22H16ClN5O/c23-16-4-1-5-17(11-16)28-22-19-12-18(7-8-20(19)25-14-26-22)27-21(29)9-6-15-3-2-10-24-13-15/h1-14H,(H,27,29)(H,25,26,28)/b9-6+
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| InChIKey |
MSJSVXPZBQQCHM-RMKNXTFCSA-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