General Information of the Compound
| Compound ID |
CP0543997
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| Compound Name |
2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-pyridin-4-yl-3H-quinazolin-4-one
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| Structure |
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| Formula |
C23H20N4O
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| Molecular Weight |
368.44
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| Canonical SMILES |
O=c1[nH]c(nc2ccc(cc12)-c1ccncc1)[C@@H]1CNC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C23H20N4O/c28-23-18-12-17(15-8-10-24-11-9-15)6-7-21(18)26-22(27-23)20-14-25-13-19(20)16-4-2-1-3-5-16/h1-12,19-20,25H,13-14H2,(H,26,27,28)/t19-,20+/m0/s1
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| InChIKey |
NKKOAZFGRRTXCV-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