General Information of the Compound
| Compound ID |
CP0055279
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| Compound Name |
5-(4-chloro-3-methylphenyl)-1-phenyl-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H30ClN3O
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| Molecular Weight |
448.01
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| Canonical SMILES |
Cc1cc(ccc1Cl)-c1cc(nn1-c1ccccc1)C(=O)N[C@H]1[C@@]2(C)CC[C@H](C2)C1(C)C
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| InChI |
InChI=1S/C27H30ClN3O/c1-17-14-18(10-11-21(17)28)23-15-22(30-31(23)20-8-6-5-7-9-20)24(32)29-25-26(2,3)19-12-13-27(25,4)16-19/h5-11,14-15,19,25H,12-13,16H2,1-4H3,(H,29,32)/t19-,25-,27+/m1/s1
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| InChIKey |
IYKDWWVLNRESOH-JRLVAEJTSA-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