General Information of the Compound
| Compound ID |
CP0858710
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| Compound Name |
N-(1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide hydrochloride
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| Structure |
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| Formula |
C25H30Cl2N4O2
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| Molecular Weight |
489.447
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| Canonical SMILES |
Cc1cc(NC(=O)c2ccc3c(c2)CCNC3)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
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| InChI |
InChI=1S/C25H29ClN4O2.ClH/c1-16(2)15-32-23-7-6-22(26)12-21(23)14-30-17(3)10-24(29-30)28-25(31)19-4-5-20-13-27-9-8-18(20)11-19;/h4-7,10-12,16,27H,8-9,13-15H2,1-3H3,(H,28,29,31);1H
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| InChIKey |
KCCMIJITMCEGSO-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