General Information of the Compound
| Compound ID |
CP0493121
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| Compound Name |
3-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-1H-indazole-5-carbonitrile
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
N#Cc1ccc2[nH]nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
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| InChI |
InChI=1S/C21H21N5O2/c22-11-14-1-3-18-17(9-14)21(25-24-18)23-16-5-7-26(8-6-16)12-15-2-4-19-20(10-15)28-13-27-19/h1-4,9-10,16H,5-8,12-13H2,(H2,23,24,25)
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| InChIKey |
ROVVFMMVPKOMBY-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