General Information of the Compound
| Compound ID |
CP0407899
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-1-benzyl-5-nitroindazol-3-amine
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| Structure |
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| Formula |
C27H27N5O4
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| Molecular Weight |
485.544
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| Canonical SMILES |
[O-][N+](=O)c1ccc2n(Cc3ccccc3)nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
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| InChI |
InChI=1S/C27H27N5O4/c33-32(34)22-7-8-24-23(15-22)27(29-31(24)17-19-4-2-1-3-5-19)28-21-10-12-30(13-11-21)16-20-6-9-25-26(14-20)36-18-35-25/h1-9,14-15,21H,10-13,16-18H2,(H,28,29)
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| InChIKey |
QUYAYKFWXNRNJW-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