General Information of the Compound
| Compound ID |
CP0431556
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| Compound Name |
2,2-dimethylpropyl (3R)-3,7-dimethyl-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 |
C25H36N4O3
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| Molecular Weight |
440.588
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| Canonical SMILES |
C[C@@H]1CC2(CN1C(=O)OCC(C)(C)C)CCN(C(C)C2)C(=O)c1cc(C)c2[nH]ncc2c1
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| InChI |
InChI=1S/C25H36N4O3/c1-16-9-19(10-20-13-26-27-21(16)20)22(30)28-8-7-25(11-17(28)2)12-18(3)29(14-25)23(31)32-15-24(4,5)6/h9-10,13,17-18H,7-8,11-12,14-15H2,1-6H3,(H,26,27)/t17?,18-,25?/m1/s1
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| InChIKey |
FSHHIYCYKBYPLX-JXHCQPQMSA-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