General Information of the Compound
| Compound ID |
CP0400076
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| Compound Name |
N-[1-[6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-methylquinazolin-2-yl]piperidin-4-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C27H28ClN5O2
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| Molecular Weight |
490.007
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)NC(=O)C1CC1
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| InChI |
InChI=1S/C27H28ClN5O2/c1-17-23-16-22(30-25(34)11-4-18-2-7-20(28)8-3-18)9-10-24(23)32-27(29-17)33-14-12-21(13-15-33)31-26(35)19-5-6-19/h2-4,7-11,16,19,21H,5-6,12-15H2,1H3,(H,30,34)(H,31,35)/b11-4+
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| InChIKey |
UDWIWMSIWCEFHC-NYYWCZLTSA-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