General Information of the Compound
| Compound ID |
CP0383350
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| Compound Name |
(6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-but-3-enyl-pyrrolidin-3-yl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
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| Structure |
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| Formula |
C29H30N4O4
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| Molecular Weight |
498.583
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| Canonical SMILES |
C=CCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
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| InChI |
InChI=1S/C29H30N4O4/c1-2-3-11-31-12-10-19(15-31)32-16-26(34)33-23(29(32)35)14-21-20-6-4-5-7-22(20)30-27(21)28(33)18-8-9-24-25(13-18)37-17-36-24/h2,4-9,13,19,23,28,30H,1,3,10-12,14-17H2/t19-,23-,28-/m1/s1
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| InChIKey |
FQCMVPNEBBMUQB-RRBBIIPZSA-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