General Information of the Compound
| Compound ID |
CP0941514
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| Compound Name |
((R)-3-cyclohexyl-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indol-6-yl)((S)-dihydro-1H-pyrido[1,2-a]pyrazin-2(6H,7H,8H,9H,9aH)-yl)methanone
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| Structure |
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| Formula |
C25H33N3O2
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| Molecular Weight |
407.558
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| Canonical SMILES |
O=C(c1cn2c3c(cccc13)OC[C@H]2C1CCCCC1)N1CCN2CCCC[C@H]2C1
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| InChI |
InChI=1S/C25H33N3O2/c29-25(27-14-13-26-12-5-4-9-19(26)15-27)21-16-28-22(18-7-2-1-3-8-18)17-30-23-11-6-10-20(21)24(23)28/h6,10-11,16,18-19,22H,1-5,7-9,12-15,17H2/t19-,22-/m0/s1
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| InChIKey |
ZFXQUUUELIZMGT-UGKGYDQZSA-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