General Information of the Compound
| Compound ID |
CP0477756
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| Compound Name |
3-[(3R,9aS)-8-[2-[6-(tetrazol-1-yl)pyridin-3-yl]acetyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-2-methylbenzonitrile
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| Structure |
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| Formula |
C23H24N8O2
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| Molecular Weight |
444.499
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| Canonical SMILES |
Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1)C#N
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| InChI |
InChI=1S/C23H24N8O2/c1-16-18(10-24)3-2-4-20(16)21-13-29-7-8-30(12-19(29)14-33-21)23(32)9-17-5-6-22(25-11-17)31-15-26-27-28-31/h2-6,11,15,19,21H,7-9,12-14H2,1H3/t19-,21-/m0/s1
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| InChIKey |
CHVOVRGBCPPLHQ-FPOVZHCZSA-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