General Information of the Compound
| Compound ID |
CP0103104
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| Compound Name |
2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)propoxy)quinazolin-3(4H)-yl)-N-isopropylacetamide
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| Structure |
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| Formula |
C27H33ClN4O3
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| Molecular Weight |
497.039
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33)
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| InChIKey |
MOMPUOVKLQCIDO-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: PT03188, Vasopressin V1b receptor
Protein ID: PT01840, Vasopressin V1b receptor