General Information of the Compound
| Compound ID |
CP0555715
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| Compound Name |
N-[5-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-(4-methylpiperazin-1-yl)benzamide
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| Formula |
C26H30F2N6O
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| Molecular Weight |
480.563
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| Canonical SMILES |
CN1CCN(CC1)c1cccc(c1)C(=O)Nc1n[nH]c2c1CN(Cc1cc(F)cc(F)c1)C2(C)C
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| InChI |
InChI=1S/C26H30F2N6O/c1-26(2)23-22(16-34(26)15-17-11-19(27)14-20(28)12-17)24(31-30-23)29-25(35)18-5-4-6-21(13-18)33-9-7-32(3)8-10-33/h4-6,11-14H,7-10,15-16H2,1-3H3,(H2,29,30,31,35)
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| InChIKey |
KMRRAHVRJDHPQG-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
Protein ID: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor
Protein ID: PT00936, NT-3 growth factor receptor