General Information of the Compound
| Compound ID |
CP0461953
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| Compound Name |
N-[2-(diaminomethylideneamino)ethyl]-4-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)butanamide
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| Structure |
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| Formula |
C26H29N5O
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| Molecular Weight |
427.552
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| Canonical SMILES |
NC(N)=NCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C26H29N5O/c27-26(28)29-14-15-31(18-19-12-13-20-6-1-2-7-21(20)16-19)25(32)11-5-8-22-17-30-24-10-4-3-9-23(22)24/h1-4,6-7,9-10,12-13,16-17,30H,5,8,11,14-15,18H2,(H4,27,28,29)
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| InChIKey |
XKYCITGFLGXXMT-UHFFFAOYSA-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: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor