General Information of the Compound
| Compound ID |
CP0445454
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| Compound Name |
propan-2-yl 8-(7-methyl-1H-indazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
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| Structure |
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| Formula |
C21H28N4O3
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| Molecular Weight |
384.48
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| Canonical SMILES |
CC(C)OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1
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| InChI |
InChI=1S/C21H28N4O3/c1-14(2)28-20(27)25-9-6-21(13-25)4-7-24(8-5-21)19(26)16-10-15(3)18-17(11-16)12-22-23-18/h10-12,14H,4-9,13H2,1-3H3,(H,22,23)
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| InChIKey |
PMRMLBMNKQFKNR-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