General Information of the Compound
| Compound ID |
CP0459155
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| Compound Name |
4-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
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| Structure |
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| Formula |
C21H29N5O3
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| Molecular Weight |
399.495
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCN(CC2)C(C)=O)[nH]n1
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| InChI |
InChI=1S/C21H29N5O3/c1-16(27)26-12-4-11-25(13-14-26)10-3-5-21(28)22-20-15-19(23-24-20)17-6-8-18(29-2)9-7-17/h6-9,15H,3-5,10-14H2,1-2H3,(H2,22,23,24,28)
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| InChIKey |
PVOBJLKCTFQMOG-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