General Information of the Compound
| Compound ID |
CP0960691
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| Compound Name |
1-{[1-(1H-1,3-Benzodiazol-2-ylmethyl)azetidin-3-yl]methyl}-N-[(3-fluoropyridin-2-yl)methyl]-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H22FN7O
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| Molecular Weight |
419.464
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1cnn(CC2CN(Cc3nc4ccccc4[nH]3)C2)c1
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| InChI |
InChI=1S/C22H22FN7O/c23-17-4-3-7-24-20(17)9-25-22(31)16-8-26-30(13-16)12-15-10-29(11-15)14-21-27-18-5-1-2-6-19(18)28-21/h1-8,13,15H,9-12,14H2,(H,25,31)(H,27,28)
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| InChIKey |
RDNYVOVQCMKESX-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