General Information of the Compound
| Compound ID |
CP0418029
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| Compound Name |
2-[(3S,4R)-1,1-dimethyl-4-phenylpyrrolidin-1-ium-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C23H24N5O+
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| Molecular Weight |
386.479
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| Canonical SMILES |
C[N+]1(C)C[C@H]([C@@H](C1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1)c1ccccc1
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| InChI |
InChI=1S/C23H23N5O/c1-28(2)13-19(15-6-4-3-5-7-15)20(14-28)22-26-21-9-8-16(17-11-24-25-12-17)10-18(21)23(29)27-22/h3-12,19-20H,13-14H2,1-2H3,(H-,24,25,26,27,29)/p+1/t19-,20+/m0/s1
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| InChIKey |
NKPRLPJLIAJOCL-VQTJNVASSA-O
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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