General Information of the Compound
| Compound ID |
CP0371937
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| Compound Name |
N-(cyclopropylmethyl)-2-[4-oxo-2-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]quinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C32H34N4O2
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| Molecular Weight |
506.65
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| Canonical SMILES |
O=C(Cn1c(nc2ccc(cc2c1=O)-c1ccc(CN2CCCCC2)cc1)-c1ccccc1)NCC1CC1
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| InChI |
InChI=1S/C32H34N4O2/c37-30(33-20-23-9-10-23)22-36-31(26-7-3-1-4-8-26)34-29-16-15-27(19-28(29)32(36)38)25-13-11-24(12-14-25)21-35-17-5-2-6-18-35/h1,3-4,7-8,11-16,19,23H,2,5-6,9-10,17-18,20-22H2,(H,33,37)
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| InChIKey |
APLNTDBKSIRJBX-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