General Information of the Compound
| Compound ID |
CP0501563
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| Compound Name |
N-(cyclopropylmethyl)-2-[4-oxo-2-phenyl-6-[3-(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)-c1cccc(CN2CCCCC2)c1)-c1ccccc1)NCC1CC1
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| InChI |
InChI=1S/C32H34N4O2/c37-30(33-20-23-12-13-23)22-36-31(25-9-3-1-4-10-25)34-29-15-14-27(19-28(29)32(36)38)26-11-7-8-24(18-26)21-35-16-5-2-6-17-35/h1,3-4,7-11,14-15,18-19,23H,2,5-6,12-13,16-17,20-22H2,(H,33,37)
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| InChIKey |
MJFGNTAUFDUSRQ-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