General Information of the Compound
| Compound ID |
CP0041007
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| Compound Name |
1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one
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| Synonyms |
1-[1-[4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
1-[4-[(1-ACETYL-4-PIPERIDINYL)OXY]-2-METHOXYBENZOYL]-4-(2-OXO-2H-3,1-BENZOXAZIN-1(4H)-YL)PIPERIDINE
162042-44-6
ABP001011
AC1OCFAC
AKOS024457081
API0009977
B7045
BDBM50029649
CHEMBL24781
CTK8E8747
DTXSID30426072
GTPL2252
KB-78045
L 371257
L-371,257
L-371257
L014161
L371,257
MolPort-023-276-417
NCGC00159562-01
RT-013479
SCHEMBL4954712
ZINC3824080
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| Structure |
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| Formula |
C28H33N3O6
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| Molecular Weight |
507.587
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| Canonical SMILES |
COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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| InChI |
InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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| InChIKey |
WDERJSQJYIJOPD-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
Protein ID: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor
Clinical Information about the Compound