General Information of the Compound
| Compound ID |
CP0902782
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| Compound Name |
(S)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-N-((S)-1-((R)-1-amino-3-(naphthalen-2-yl)-1-oxopropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-5-guanidinopentanamide
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| Formula |
C45H49N9O5
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| Molecular Weight |
795.945
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
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| InChI |
InChI=1S/C45H49N9O5/c1-27(55)51-39(24-29-17-19-31-10-3-5-12-33(31)22-29)43(58)52-37(15-8-20-49-45(47)48)42(57)54-40(25-34-26-50-36-14-7-6-13-35(34)36)44(59)53-38(41(46)56)23-28-16-18-30-9-2-4-11-32(30)21-28/h2-7,9-14,16-19,21-22,26,37-40,50H,8,15,20,23-25H2,1H3,(H2,46,56)(H,51,55)(H,52,58)(H,53,59)(H,54,57)(H4,47,48,49)/t37-,38+,39+,40-/m0/s1
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| InChIKey |
TYHPXLGSETWUHC-KQQMQGIYSA-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