General Information of the Compound
| Compound ID |
CP0418030
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| Compound Name |
2-[(3S,4R)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C28H24FN5O
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| Molecular Weight |
465.532
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| Canonical SMILES |
Fc1cccc(c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C28H24FN5O/c29-22-8-4-7-20(11-22)24-16-34(15-18-5-2-1-3-6-18)17-25(24)27-32-26-10-9-19(21-13-30-31-14-21)12-23(26)28(35)33-27/h1-14,24-25H,15-17H2,(H,30,31)(H,32,33,35)/t24-,25+/m0/s1
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| InChIKey |
LZQNJDQXSZXERV-LOSJGSFVSA-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