General Information of the Compound
| Compound ID |
CP0850252
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| Compound Name |
N-(1-(5-chloro-2-isobutoxybenzyl)-5-methyl-1H-pyrazol-3-yl)-4-(1-(isobutylamino)ethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C28H38Cl2N4O2
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| Molecular Weight |
533.544
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| Canonical SMILES |
Cc1cc(NC(=O)c2ccc(C(C)NCC(C)C)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C.Cl
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| InChI |
InChI=1S/C28H37ClN4O2.ClH/c1-18(2)15-30-21(6)22-7-9-23(10-8-22)28(34)31-27-13-20(5)33(32-27)16-24-14-25(29)11-12-26(24)35-17-19(3)4;/h7-14,18-19,21,30H,15-17H2,1-6H3,(H,31,32,34);1H
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| InChIKey |
IXBWMRTXFWGZLC-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