General Information of the Compound
| Compound ID |
CP0574397
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| Compound Name |
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]benzamide
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| Formula |
C23H25N3O3
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| Molecular Weight |
391.471
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| Canonical SMILES |
Cc1ccc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O
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| InChI |
InChI=1S/C23H25N3O3/c1-16-3-6-18(23(28)25-21-9-12-29-15-22(21)27)14-19(16)13-17-4-7-20(8-5-17)26-11-2-10-24-26/h2-8,10-11,14,21-22,27H,9,12-13,15H2,1H3,(H,25,28)/t21-,22-/m0/s1
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| InChIKey |
NONWVMJYROEIFA-VXKWHMMOSA-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