General Information of the Compound
| Compound ID |
CP0870730
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| Compound Name |
US9447148, 9.46
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| Structure |
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| Formula |
C32H45N9O7
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| Molecular Weight |
667.768
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| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
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| InChI |
InChI=1S/C32H45N9O7/c1-3-4-10-23(37-19(2)42)29(45)39-24-11-12-27(43)35-14-13-22(28(33)44)38-31(47)25(15-20-8-6-5-7-9-20)40-32(48)26(41-30(24)46)16-21-17-34-18-36-21/h5-9,17-18,22-26H,3-4,10-16H2,1-2H3,(H2,33,44)(H,34,36)(H,35,43)(H,37,42)(H,38,47)(H,39,45)(H,40,48)(H,41,46)/t22-,23-,24-,25+,26-/m0/s1
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| InChIKey |
GUFJAODVDYCBTK-IYMLOVEFSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor