General Information of the Compound
| Compound ID |
CP0633916
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| Compound Name |
1-(3-(1H-benzo[d]imidazol-4-yl)phenylamino)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
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| Structure |
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| Formula |
C25H26N4O
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| Molecular Weight |
398.51
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| Canonical SMILES |
OC(CNc1cccc(-c2cccc3[nH]cnc23)c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H26N4O/c30-22(16-29-12-11-18-5-1-2-6-20(18)15-29)14-26-21-8-3-7-19(13-21)23-9-4-10-24-25(23)28-17-27-24/h1-10,13,17,22,26,30H,11-12,14-16H2,(H,27,28)
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| InChIKey |
APHASUFVZNWOIN-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