General Information of the Compound
| Compound ID |
CP0342501
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| Compound Name |
(6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(6-oxo-1,6-dihydro-pyridin-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 |
C30H29N5O3
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| Molecular Weight |
507.594
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| Canonical SMILES |
O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc(=O)[nH]c1
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| InChI |
InChI=1S/C30H29N5O3/c36-26-11-10-20(15-31-26)29-28-23(22-8-4-5-9-24(22)32-28)14-25-30(38)34(18-27(37)35(25)29)21-12-13-33(17-21)16-19-6-2-1-3-7-19/h1-11,15,21,25,29,32H,12-14,16-18H2,(H,31,36)/t21-,25-,29-/m1/s1
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| InChIKey |
QHJCIJAYYGBMRP-PRNYMFJNSA-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