General Information of the Compound
| Compound ID |
CP0505663
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| Compound Name |
4-(4-Hydroxy-phenyl)-1-pentanoylamino-cyclohexanecarboxylic acid ((R)-1-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethyl)-amide
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| Formula |
C46H60N10O7
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| Molecular Weight |
865.049
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| Canonical SMILES |
CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C46H60N10O7/c1-2-3-15-40(59)56-46(22-20-31(21-23-46)30-16-18-33(57)19-17-30)44(63)55-37(25-29-10-5-4-6-11-29)43(62)53-36(14-9-24-50-45(48)49)42(61)54-38(41(60)52-28-39(47)58)26-32-27-51-35-13-8-7-12-34(32)35/h4-8,10-13,16-19,27,31,36-38,51,57H,2-3,9,14-15,20-26,28H2,1H3,(H2,47,58)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,59)(H4,48,49,50)/t31-,36-,37+,38-,46+/m0/s1
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| InChIKey |
SNFSRZVKXJPBQM-XYPXSHIHSA-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