General Information of the Compound
| Compound ID |
CP0376398
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| Compound Name |
1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-5-(phenylmethoxy)-1Hindazole-3-carboxamide
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| Structure |
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2ccc(OCc3ccccc3)cc12
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| InChI |
InChI=1S/C25H30N4O2/c1-28-19-9-6-10-20(28)14-18(13-19)26-25(30)24-22-15-21(11-12-23(22)29(2)27-24)31-16-17-7-4-3-5-8-17/h3-5,7-8,11-12,15,18-20H,6,9-10,13-14,16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1
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| InChIKey |
SXJUZHRNCSMYNX-PMACEKPBSA-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