General Information of the Compound
| Compound ID |
CP0135132
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| Compound Name |
(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]pentanamide
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| Structure |
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| Formula |
C29H37N7O3
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| Molecular Weight |
531.661
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1
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| InChI |
InChI=1S/C29H37N7O3/c1-33-27(38)25(18-20-13-14-21-10-5-6-11-22(21)16-20)36-28(39)24(12-7-15-34-29(31)32)35-26(37)23(30)17-19-8-3-2-4-9-19/h2-6,8-11,13-14,16,23-25H,7,12,15,17-18,30H2,1H3,(H,33,38)(H,35,37)(H,36,39)(H4,31,32,34)/t23-,24+,25+/m1/s1
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| InChIKey |
GXWODOLKOXXRLR-DSITVLBTSA-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