General Information of the Compound
| Compound ID |
CP0504074
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| Compound Name |
N-[[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C23H30N6O2
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| Molecular Weight |
422.533
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| Canonical SMILES |
Cc1nn(C)c(C)c1C(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1
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| InChI |
InChI=1S/C23H30N6O2/c1-15-20(16(2)27(3)26-15)21(30)28-8-5-23(6-9-28)10-19(23)12-25-22(31)29-13-17-4-7-24-11-18(17)14-29/h4,7,11,19H,5-6,8-10,12-14H2,1-3H3,(H,25,31)
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| InChIKey |
VMAOFORAZIKCQG-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