General Information of the Compound
| Compound ID |
CP0515612
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| Compound Name |
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-5-nitro-1H-indazol-3-amine
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| Structure |
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| Formula |
C21H23N5O4
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| Molecular Weight |
409.446
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| Canonical SMILES |
[O-][N+](=O)c1ccc2[nH]nc(NC3CCN(Cc4ccc5OCCOc5c4)CC3)c2c1
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| InChI |
InChI=1S/C21H23N5O4/c27-26(28)16-2-3-18-17(12-16)21(24-23-18)22-15-5-7-25(8-6-15)13-14-1-4-19-20(11-14)30-10-9-29-19/h1-4,11-12,15H,5-10,13H2,(H2,22,23,24)
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| InChIKey |
CVCGBWLRYBCWQT-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