General Information of the Compound
| Compound ID |
CP0452991
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| Compound Name |
(S)-N-((R)-1-((2R,4R)-2-(2-guanidinoethylcarbamoyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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| Structure |
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| Formula |
C38H43N7O4
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| Molecular Weight |
661.807
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| Canonical SMILES |
NC(N)=NCCNC(=O)[C@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1)OCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C38H43N7O4/c39-38(40)42-17-16-41-36(47)34-21-31(49-24-26-14-15-27-10-4-5-11-28(27)18-26)23-45(34)37(48)33(19-25-8-2-1-3-9-25)44-35(46)32-20-29-12-6-7-13-30(29)22-43-32/h1-15,18,31-34,43H,16-17,19-24H2,(H,41,47)(H,44,46)(H4,39,40,42)/t31-,32+,33-,34-/m1/s1
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| InChIKey |
XJNKMZCGJSOFTK-KMKAFXEASA-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: PT00911, Melanocyte-stimulating hormone receptor