General Information of the Compound
| Compound ID |
CP0870433
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| Compound Name |
N-(1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl)-2-isopropyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide hydrochloride
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| Structure |
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| Formula |
C28H36Cl2N4O2
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| Molecular Weight |
531.528
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| Canonical SMILES |
Cc1cc(NC(=O)c2ccc3c(c2)CCN(C(C)C)C3)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
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| InChI |
InChI=1S/C28H35ClN4O2.ClH/c1-18(2)17-35-26-9-8-25(29)14-24(26)16-33-20(5)12-27(31-33)30-28(34)22-6-7-23-15-32(19(3)4)11-10-21(23)13-22;/h6-9,12-14,18-19H,10-11,15-17H2,1-5H3,(H,30,31,34);1H
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| InChIKey |
SHPQJNNLDJCDBQ-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