General Information of the Compound
| Compound ID |
CP0576361
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| Compound Name |
[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
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| Structure |
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| Formula |
C26H31N3O4
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| Molecular Weight |
449.551
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| Canonical SMILES |
COc1ccc(cc1)C1(CCOCC1)C(=O)N1CCOCC(Cc2cccc3[nH]ncc23)C1
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| InChI |
InChI=1S/C26H31N3O4/c1-31-22-7-5-21(6-8-22)26(9-12-32-13-10-26)25(30)29-11-14-33-18-19(17-29)15-20-3-2-4-24-23(20)16-27-28-24/h2-8,16,19H,9-15,17-18H2,1H3,(H,27,28)
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| InChIKey |
DVARPKLPZMHFHM-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