General Information of the Compound
| Compound ID |
CP0436521
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| Compound Name |
(Z)-N-(3-(4-(3-aminopropyl)piperazin-1-yl)propyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
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| Structure |
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| Formula |
C31H42ClN5O
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| Molecular Weight |
536.164
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| Canonical SMILES |
NCCCN1CCN(CCCN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C31H42ClN5O/c32-28(23-26-9-2-1-3-10-26)25-37(18-8-17-36-21-19-35(20-22-36)16-7-15-33)31(38)14-6-11-27-24-34-30-13-5-4-12-29(27)30/h1-5,9-10,12-13,23-24,34H,6-8,11,14-22,25,33H2/b28-23-
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| InChIKey |
JVESEOWTESJOMA-NFFVHWSESA-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: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor