General Information of the Compound
| Compound ID |
CP0635768
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| Compound Name |
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(5-(1-methyl-1H-benzo[d]imidazol-5-yl)-1H-pyrazol-3-ylamino)propan-2-ol
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| Structure |
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| Formula |
C23H26N6O
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| Molecular Weight |
402.502
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| Canonical SMILES |
Cn1cnc2cc(-c3cc(NCC(O)CN4CCc5ccccc5C4)n[nH]3)ccc21
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| InChI |
InChI=1S/C23H26N6O/c1-28-15-25-21-10-17(6-7-22(21)28)20-11-23(27-26-20)24-12-19(30)14-29-9-8-16-4-2-3-5-18(16)13-29/h2-7,10-11,15,19,30H,8-9,12-14H2,1H3,(H2,24,26,27)
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| InChIKey |
PIGDBEGILVSVGP-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