General Information of the Compound
| Compound ID |
CP0505450
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| Compound Name |
2-[(3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C29H27N5O2
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| Molecular Weight |
477.568
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C29H27N5O2/c1-36-23-10-7-20(8-11-23)25-17-34(16-19-5-3-2-4-6-19)18-26(25)28-32-27-12-9-21(22-14-30-31-15-22)13-24(27)29(35)33-28/h2-15,25-26H,16-18H2,1H3,(H,30,31)(H,32,33,35)/t25-,26+/m0/s1
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| InChIKey |
OVLBSDJCLWRETA-IZZNHLLZSA-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