General Information of the Compound
| Compound ID |
CP0490983
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| Compound Name |
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H22Cl2N4O
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| Molecular Weight |
465.384
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2
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| InChI |
InChI=1S/C25H22Cl2N4O/c26-18-9-7-16(8-10-18)24-19(11-12-28)23(30-31(24)22-4-2-1-3-20(22)27)25(32)29-21-14-15-5-6-17(21)13-15/h1-4,7-10,15,17,21H,5-6,11,13-14H2,(H,29,32)/t15-,17+,21+/m0/s1
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| InChIKey |
PMJATBMXBOJZTA-LUQKVYGDSA-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