General Information of the Compound
| Compound ID |
CP0442505
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| Compound Name |
(R)-2-amino-N-(2-amino-ethyl)-3-(4-chloro-phenyl)-N-spiro[5.5]undec-3-yl-propionamide
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| Structure |
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| Formula |
C22H34ClN3O
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| Molecular Weight |
391.987
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| Canonical SMILES |
NCCN(C1CCC2(CCCCC2)CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H34ClN3O/c23-18-6-4-17(5-7-18)16-20(25)21(27)26(15-14-24)19-8-12-22(13-9-19)10-2-1-3-11-22/h4-7,19-20H,1-3,8-16,24-25H2/t20-/m1/s1
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| InChIKey |
STZRVBRXMQXMKW-HXUWFJFHSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor