General Information of the Compound
| Compound ID |
CP0066776
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| Compound Name |
2-[(3S,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C23H23N5O2/c1-28-12-19(14-3-6-17(30-2)7-4-14)20(13-28)22-26-21-8-5-15(16-10-24-25-11-16)9-18(21)23(29)27-22/h3-11,19-20H,12-13H2,1-2H3,(H,24,25)(H,26,27,29)/t19-,20+/m0/s1
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| InChIKey |
RINUIXSHMABIND-VQTJNVASSA-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