General Information of the Compound
| Compound ID |
CP0543993
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| Compound Name |
4-(azetidin-1-yl)-2-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazoline
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| Structure |
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| Formula |
C24H23FN6
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| Molecular Weight |
414.488
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| Canonical SMILES |
Fc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc(N2CCC2)c2cc(ccc2n1)-c1cn[nH]c1
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| InChI |
InChI=1S/C24H23FN6/c25-18-5-2-15(3-6-18)20-13-26-14-21(20)23-29-22-7-4-16(17-11-27-28-12-17)10-19(22)24(30-23)31-8-1-9-31/h2-7,10-12,20-21,26H,1,8-9,13-14H2,(H,27,28)/t20-,21+/m0/s1
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| InChIKey |
JBGSUTXZCKJPKB-LEWJYISDSA-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