General Information of the Compound
| Compound ID |
CP0318133
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| Compound Name |
1-{1-[2-Methoxy-4-(1-pyridin-3-yl-ethoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C28H29N3O5
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| Molecular Weight |
487.556
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| Canonical SMILES |
COc1cc(OC(C)c2cccnc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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| InChI |
InChI=1S/C28H29N3O5/c1-19(20-7-5-13-29-17-20)36-23-9-10-24(26(16-23)34-2)27(32)30-14-11-22(12-15-30)31-25-8-4-3-6-21(25)18-35-28(31)33/h3-10,13,16-17,19,22H,11-12,14-15,18H2,1-2H3
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| InChIKey |
GYIPLZXDPSSLOV-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