General Information of the Compound
| Compound ID |
CP0402634
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| Compound Name |
tert-butyl 4-[5-[(2-propylpentanoylamino)methyl]indazol-1-yl]benzoate
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| Structure |
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
CCCC(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C27H35N3O3/c1-6-8-20(9-7-2)25(31)28-17-19-10-15-24-22(16-19)18-29-30(24)23-13-11-21(12-14-23)26(32)33-27(3,4)5/h10-16,18,20H,6-9,17H2,1-5H3,(H,28,31)
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| InChIKey |
CHSJMBVVQLTUEE-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