General Information of the Compound
| Compound ID |
CP0958658
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| Compound Name |
(6R,12aS)-6-(4-Chlorophenyl)-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 |
C20H16ClN3O2
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| Molecular Weight |
365.82
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| Canonical SMILES |
O=C1NCC(=O)N2[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@@H]12
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| InChI |
InChI=1S/C20H16ClN3O2/c21-12-7-5-11(6-8-12)19-18-14(13-3-1-2-4-15(13)23-18)9-16-20(26)22-10-17(25)24(16)19/h1-8,16,19,23H,9-10H2,(H,22,26)/t16-,19+/m0/s1
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| InChIKey |
FAJVQZCHZSFLEU-QFBILLFUSA-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