General Information of the Compound
| Compound ID |
CP0354327
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| Compound Name |
2-{[4-[4-(2-methoxy-phenyl)- piperidin-1-yl]-2-(1- trifluoromethyl-cyclopropyl)- quinazolin-6-yl]-methyl-amino}- ethanol
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| Structure |
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| Formula |
C27H31F3N4O2
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| Molecular Weight |
500.565
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N(C)CCO)C1(CC1)C(F)(F)F
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| InChI |
InChI=1S/C27H31F3N4O2/c1-33(15-16-35)19-7-8-22-21(17-19)24(32-25(31-22)26(11-12-26)27(28,29)30)34-13-9-18(10-14-34)20-5-3-4-6-23(20)36-2/h3-8,17-18,35H,9-16H2,1-2H3
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| InChIKey |
RFRDMPKLPBPXEU-UHFFFAOYSA-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