General Information of the Compound
| Compound ID |
CP0404697
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| Compound Name |
CHEMBL180962
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| Formula |
C24H29N5O
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| Molecular Weight |
403.53
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)nc2ccccc12
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| InChI |
InChI=1S/C24H29N5O/c1-16-7-6-8-17(15-16)23(30)25-18-11-13-19(14-12-18)26-24-27-21-10-5-4-9-20(21)22(28-24)29(2)3/h4-10,15,18-19H,11-14H2,1-3H3,(H,25,30)(H,26,27,28)/t18-,19+
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| InChIKey |
XJARKGGVDJGJMK-KDURUIRLSA-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01027, Melanin-concentrating hormone receptor 1