General Information of the Compound
| Compound ID |
CP0481450
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| Compound Name |
3-hydroxy-N'-quinolin-5-yladamantane-1-carbohydrazide
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| Structure |
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| Formula |
C20H23N3O2
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| Molecular Weight |
337.423
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| Canonical SMILES |
OC12CC3CC(C1)CC(C3)(C2)C(=O)NNc1cccc2ncccc12
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| InChI |
InChI=1S/C20H23N3O2/c24-18(19-8-13-7-14(9-19)11-20(25,10-13)12-19)23-22-17-5-1-4-16-15(17)3-2-6-21-16/h1-6,13-14,22,25H,7-12H2,(H,23,24)
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| InChIKey |
YPJOCOJIDCUMRT-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7