General Information of the Compound
| Compound ID |
CP0439039
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| Compound Name |
(3-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-5-chloro-1H-indazol-1-yl)(thiazol-4-yl)methanone
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| Structure |
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| Formula |
C24H22ClN5O3S
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| Molecular Weight |
495.992
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| Canonical SMILES |
Clc1ccc2n(nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1)C(=O)c1cscn1
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| InChI |
InChI=1S/C24H22ClN5O3S/c25-16-2-3-20-18(10-16)23(28-30(20)24(31)19-12-34-13-26-19)27-17-5-7-29(8-6-17)11-15-1-4-21-22(9-15)33-14-32-21/h1-4,9-10,12-13,17H,5-8,11,14H2,(H,27,28)
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| InChIKey |
BILMIPXQRPJSTI-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