General Information of the Compound
| Compound ID |
CP0355149
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| Compound Name |
(R)-1-{2-cyclopropyl-4-[4-(2- methoxy-phenyl)-piperidin-1-yl]- quinazolin-6-yl}-pyrrolidin-3-ol, HCl salt
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N1CC[C@@H](O)C1)C1CC1
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| InChI |
InChI=1S/C27H32N4O2/c1-33-25-5-3-2-4-22(25)18-10-13-30(14-11-18)27-23-16-20(31-15-12-21(32)17-31)8-9-24(23)28-26(29-27)19-6-7-19/h2-5,8-9,16,18-19,21,32H,6-7,10-15,17H2,1H3/t21-/m1/s1
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| InChIKey |
SQSASMLYFCBHPV-OAQYLSRUSA-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