General Information of the Compound
| Compound ID |
CP0031406
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| Compound Name |
(3,3-difluoropyrrolidin-1-yl)-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanone
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| Structure |
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| Formula |
C23H21F2N5O
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| Molecular Weight |
421.451
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCC(F)(F)C2)cc1
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| InChI |
InChI=1S/C23H21F2N5O/c1-29-13-18(12-26-29)16-4-2-15(3-5-16)10-21-19-11-17(6-7-20(19)27-28-21)22(31)30-9-8-23(24,25)14-30/h2-7,11-13H,8-10,14H2,1H3,(H,27,28)
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| InChIKey |
CPFVIABLSKKULA-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