General Information of the Compound
| Compound ID |
CP0960464
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| Compound Name |
(3S,6S,12aS)-3-Benzyl-6-isobutyl-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
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| Structure |
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| Formula |
C25H27N3O2
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| Molecular Weight |
401.51
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| Canonical SMILES |
CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N21
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| InChI |
InChI=1S/C25H27N3O2/c1-15(2)12-21-23-18(17-10-6-7-11-19(17)26-23)14-22-24(29)27-20(25(30)28(21)22)13-16-8-4-3-5-9-16/h3-11,15,20-22,26H,12-14H2,1-2H3,(H,27,29)/t20-,21-,22-/m0/s1
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| InChIKey |
MSJBTEJXCBLQIY-FKBYEOEOSA-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