General Information of the Compound
| Compound ID |
CP0350084
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| Compound Name |
1-[3,5-di(pyrazol-1-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
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| Structure |
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| Formula |
C29H34FN7O
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| Molecular Weight |
515.637
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| Canonical SMILES |
C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)-n1cccn1)-n1cccn1
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| InChI |
InChI=1S/C29H34FN7O/c1-22(10-16-35-13-2-5-24(21-35)17-23-6-8-25(30)9-7-23)33-29(38)34-26-18-27(36-14-3-11-31-36)20-28(19-26)37-15-4-12-32-37/h3-4,6-9,11-12,14-15,18-20,22,24H,2,5,10,13,16-17,21H2,1H3,(H2,33,34,38)/t22-,24+/m1/s1
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| InChIKey |
USWHNYCYCAKUDH-VWNXMTODSA-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