General Information of the Compound
| Compound ID |
CP0943081
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| Compound Name |
(3R,12aS)-3-Benzyl-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 |
C21H19N3O2
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| Molecular Weight |
345.402
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| Canonical SMILES |
O=C1N[C@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]12
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| InChI |
InChI=1S/C21H19N3O2/c25-20-19-11-15-14-8-4-5-9-16(14)22-18(15)12-24(19)21(26)17(23-20)10-13-6-2-1-3-7-13/h1-9,17,19,22H,10-12H2,(H,23,25)/t17-,19+/m1/s1
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| InChIKey |
RADKAGRBIKGFHM-MJGOQNOKSA-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