General Information of the Compound
| Compound ID |
CP0439040
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| Compound Name |
(3-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-5-chloro-1H-indazol-1-yl)(pyridin-3-yl)methanone
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| Structure |
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| Formula |
C26H24ClN5O3
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| Molecular Weight |
489.963
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| Canonical SMILES |
Clc1ccc2n(nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1)C(=O)c1cccnc1
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| InChI |
InChI=1S/C26H24ClN5O3/c27-19-4-5-22-21(13-19)25(30-32(22)26(33)18-2-1-9-28-14-18)29-20-7-10-31(11-8-20)15-17-3-6-23-24(12-17)35-16-34-23/h1-6,9,12-14,20H,7-8,10-11,15-16H2,(H,29,30)
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| InChIKey |
MNCBMBGKEPQQPH-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