General Information of the Compound
| Compound ID |
CP0443227
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| Compound Name |
3-[[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]propan-1-ol
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| Structure |
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| Formula |
C23H25FN6O
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| Molecular Weight |
420.492
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| Canonical SMILES |
CN(CCCO)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@H](N)Cc1cccc(F)c1
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| InChI |
InChI=1S/C23H25FN6O/c1-30(8-3-9-31)23-19-12-16(17-13-26-27-14-17)6-7-21(19)28-22(29-23)20(25)11-15-4-2-5-18(24)10-15/h2,4-7,10,12-14,20,31H,3,8-9,11,25H2,1H3,(H,26,27)/t20-/m1/s1
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| InChIKey |
ABAXGKKDZNTTAD-HXUWFJFHSA-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