General Information of the Compound
| Compound ID |
CP0534465
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| Compound Name |
N-(cyclopropylmethyl)-1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]piperidin-4-amine
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| Structure |
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| Formula |
C28H39N3O6S2
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| Molecular Weight |
577.769
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CC2)CCc2ccccc12
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| InChI |
InChI=1S/C28H39N3O6S2/c1-36-25-11-12-28(27(19-25)37-2)39(34,35)31-24(10-9-22-5-3-4-6-26(22)31)15-18-38(32,33)30-16-13-23(14-17-30)29-20-21-7-8-21/h3-6,11-12,19,21,23-24,29H,7-10,13-18,20H2,1-2H3
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| InChIKey |
JZKUQQJGKRTKRL-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: PT01839, Vasopressin V1a receptor
Protein ID: PT03188, Vasopressin V1b receptor
Protein ID: PT01840, Vasopressin V1b receptor