General Information of the Compound
| Compound ID |
CP0542779
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| Compound Name |
6-(2-methylindazol-5-yl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
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| Structure |
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| Formula |
C26H34N6O
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| Molecular Weight |
446.599
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| Canonical SMILES |
Cn1cc2cc(ccc2n1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1
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| InChI |
InChI=1S/C26H34N6O/c1-31-18-21-14-20(2-3-24(21)30-31)23-4-5-25(29-28-23)27-16-22-15-26(22)8-10-32(11-9-26)17-19-6-12-33-13-7-19/h2-5,14,18-19,22H,6-13,15-17H2,1H3,(H,27,29)/t22-/m0/s1
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| InChIKey |
HQZKTVUTROSHLA-QFIPXVFZSA-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