General Information of the Compound
| Compound ID |
CP0447628
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| Compound Name |
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyloxazol-4-yl)spiro[chroman-2,4'-piperidin]-4-one
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| Structure |
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| Formula |
C26H24N4O4
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| Molecular Weight |
456.502
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| Canonical SMILES |
Cc1nc(co1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
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| InChI |
InChI=1S/C26H24N4O4/c1-15-9-18(10-19-13-27-29-24(15)19)25(32)30-7-5-26(6-8-30)12-22(31)20-11-17(3-4-23(20)34-26)21-14-33-16(2)28-21/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,27,29)
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| InChIKey |
JCGKXLHCKHTFOC-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