General Information of the Compound
| Compound ID |
CP0453583
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| Compound Name |
methyl N-phenyl-N-[[2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carbonyl]amino]carbamate
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| Structure |
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| Formula |
C32H35N5O3
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| Molecular Weight |
537.664
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| Canonical SMILES |
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H35N5O3/c1-23(2)36-20-18-35(19-21-36)22-27-29(31(38)34-37(32(39)40-3)25-14-8-5-9-15-25)26-16-10-11-17-28(26)33-30(27)24-12-6-4-7-13-24/h4-17,23H,18-22H2,1-3H3,(H,34,38)
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| InChIKey |
HJXINJBZYGSKKL-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: PT01199, Neuromedin-K receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2