General Information of the Compound
| Compound ID |
CP0010867
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((4-(1-(tetrahydro-2H-pyran-4-yl)-1H-benzo[d]imidazol-6-yl)pyridin-2-yl)amino)propan-2-ol
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| Structure |
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| Formula |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
OC(CNc1cc(ccn1)-c1ccc2ncn(C3CCOCC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H33N5O2/c35-26(19-33-12-8-21-3-1-2-4-24(21)18-33)17-31-29-16-23(7-11-30-29)22-5-6-27-28(15-22)34(20-32-27)25-9-13-36-14-10-25/h1-7,11,15-16,20,25-26,35H,8-10,12-14,17-19H2,(H,30,31)
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| InChIKey |
AQHMNBGTWVHMHJ-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