General Information of the Compound
| Compound ID |
CP0496635
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| Compound Name |
N-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C21H24N4O3
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| Molecular Weight |
380.448
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| Canonical SMILES |
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
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| InChI |
InChI=1S/C21H24N4O3/c1-27-17-6-4-5-16(15-17)21(26)22-9-10-24-11-13-25(14-12-24)20-18-7-2-3-8-19(18)28-23-20/h2-8,15H,9-14H2,1H3,(H,22,26)
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| InChIKey |
CKPAPDLVEHXFQY-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