General Information of the Compound
| Compound ID |
CP0463975
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(5-fluoropyridin-2-yl)-4-hydroxypiperidine-1-carbonyl)-1H-pyrazol-4-yl)acetamide
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| Structure |
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| Formula |
C28H24Cl2FN5O3
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| Molecular Weight |
568.436
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| Canonical SMILES |
NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(O)(CC1)c1ccc(F)cn1
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| InChI |
InChI=1S/C28H24Cl2FN5O3/c29-18-7-5-17(6-8-18)26-20(15-24(32)37)25(34-36(26)22-4-2-1-3-21(22)30)27(38)35-13-11-28(39,12-14-35)23-10-9-19(31)16-33-23/h1-10,16,39H,11-15H2,(H2,32,37)
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| InChIKey |
FDGULWJSFVCANV-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