General Information of the Compound
| Compound ID |
CP0455721
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| Compound Name |
1-(4-chlorophenyl)-N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C22H24Cl2N2O3
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| Molecular Weight |
435.351
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| Canonical SMILES |
OCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H24Cl2N2O3/c23-17-6-2-15(3-7-17)14-19(20(28)25-12-1-13-27)26-21(29)22(10-11-22)16-4-8-18(24)9-5-16/h2-9,19,27H,1,10-14H2,(H,25,28)(H,26,29)/t19-/m1/s1
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| InChIKey |
KUXHAMKNCQITFC-LJQANCHMSA-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: PT02139, Vasopressin V1a receptor