General Information of the Compound
| Compound ID |
CP0391615
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-1-phenylindazol-3-amine
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| Structure |
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| Formula |
C26H25ClN4O2
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| Molecular Weight |
460.965
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| Canonical SMILES |
Clc1ccc2n(nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1)-c1ccccc1
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| InChI |
InChI=1S/C26H25ClN4O2/c27-19-7-8-23-22(15-19)26(29-31(23)21-4-2-1-3-5-21)28-20-10-12-30(13-11-20)16-18-6-9-24-25(14-18)33-17-32-24/h1-9,14-15,20H,10-13,16-17H2,(H,28,29)
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| InChIKey |
HCHNCZIKCRUBNW-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