General Information of the Compound
| Compound ID |
CP0442508
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| Compound Name |
N-[(2R)-1-[(2S,4R)-2-[3-(diaminomethylideneamino)propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
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| Structure |
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| Formula |
C30H37N5O3
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| Molecular Weight |
515.658
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C30H37N5O3/c1-21(36)34-28(17-22-8-3-2-4-9-22)29(37)35-19-27(18-26(35)12-7-15-33-30(31)32)38-20-23-13-14-24-10-5-6-11-25(24)16-23/h2-6,8-11,13-14,16,26-28H,7,12,15,17-20H2,1H3,(H,34,36)(H4,31,32,33)/t26-,27+,28+/m0/s1
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| InChIKey |
WIUGVXOSBXINHH-UPRLRBBYSA-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