General Information of the Compound
| Compound ID |
CP0423328
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
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| Formula |
C47H50N8O5
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| Molecular Weight |
806.968
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C47H50N8O5/c1-29(56)52-40(26-30-16-19-33-9-2-5-12-36(33)23-30)44(58)54-42(28-32-18-21-35-11-4-7-14-38(35)25-32)46(60)55-41(27-31-17-20-34-10-3-6-13-37(34)24-31)45(59)53-39(43(48)57)15-8-22-51-47(49)50/h2-7,9-14,16-21,23-25,39-42H,8,15,22,26-28H2,1H3,(H2,48,57)(H,52,56)(H,53,59)(H,54,58)(H,55,60)(H4,49,50,51)/t39-,40+,41+,42+/m0/s1
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| InChIKey |
VAOXNKVUDSXJMW-CVGILMMLSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01528, Melanocortin receptor 5