General Information of the Compound
| Compound ID |
CP0475452
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| Compound Name |
N-(cyclopropylmethyl)-2-[4-oxo-2-phenyl-6-[3-(pyrrolidin-1-ylmethyl)phenyl]quinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C31H32N4O2
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| Molecular Weight |
492.623
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| Canonical SMILES |
O=C(Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCCC2)c1)-c1ccccc1)NCC1CC1
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| InChI |
InChI=1S/C31H32N4O2/c36-29(32-19-22-11-12-22)21-35-30(24-8-2-1-3-9-24)33-28-14-13-26(18-27(28)31(35)37)25-10-6-7-23(17-25)20-34-15-4-5-16-34/h1-3,6-10,13-14,17-18,22H,4-5,11-12,15-16,19-21H2,(H,32,36)
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| InChIKey |
HTIZQRSHDYRJQK-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