General Information of the Compound
| Compound ID |
CP0550950
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| Compound Name |
N,N-dimethyl-1-propyl-5-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
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| Structure |
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| Formula |
C22H29F3N4O
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| Molecular Weight |
422.495
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| Canonical SMILES |
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H29F3N4O/c1-4-13-29-19-10-9-17(14-18(19)20(27-29)21(30)28(2)3)26-12-11-15-5-7-16(8-6-15)22(23,24)25/h5-8,17,26H,4,9-14H2,1-3H3
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| InChIKey |
UAJVTCVZRHYCPX-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