General Information of the Compound
| Compound ID |
CP0444729
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| Compound Name |
5-chloro-2-(1-(2-(3-oxo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)ethyl)piperidin-4-yl)-N-(2-(piperazin-1-yl)ethyl)benzamide
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| Structure |
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| Formula |
C28H36ClN5O3
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| Molecular Weight |
526.081
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| Canonical SMILES |
Clc1ccc(C2CCN(CCN3C(=O)COc4ccccc34)CC2)c(c1)C(=O)NCCN1CCNCC1
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| InChI |
InChI=1S/C28H36ClN5O3/c29-22-5-6-23(24(19-22)28(36)31-11-16-33-14-9-30-10-15-33)21-7-12-32(13-8-21)17-18-34-25-3-1-2-4-26(25)37-20-27(34)35/h1-6,19,21,30H,7-18,20H2,(H,31,36)
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| InChIKey |
MCWAKMHICOWPGF-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