General Information of the Compound
| Compound ID |
CP0562480
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-1-(pyridin-4-ylmethyl)indazol-3-amine
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| Structure |
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| Formula |
C26H26ClN5O2
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| Molecular Weight |
475.98
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| Canonical SMILES |
Clc1ccc2n(Cc3ccncc3)nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
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| InChI |
InChI=1S/C26H26ClN5O2/c27-20-2-3-23-22(14-20)26(30-32(23)16-18-5-9-28-10-6-18)29-21-7-11-31(12-8-21)15-19-1-4-24-25(13-19)34-17-33-24/h1-6,9-10,13-14,21H,7-8,11-12,15-17H2,(H,29,30)
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| InChIKey |
UKPQBXBRAZORDP-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