General Information of the Compound
| Compound ID |
CP0867572
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| Compound Name |
(7aS,8S,10aR)-7a-Methyl-2-oxo-2,3,4,6,7,7a,8,9,10,10a,11,12-dodecahydro-indeno[4,5-c]quinolizine-8-carboxylic acid tert-butylamide; compound with (7aS,8S,10aS)-7a-methyl-2-oxo-2,3,4,7,7a,8,9,10,10a,10b,11,12-dodecahydro-indeno[4,5-c]quinolizine-8-carboxylic acid tert-butylamide
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| Structure |
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| Formula |
C44H64N4O4
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| Molecular Weight |
713.02
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| Canonical SMILES |
CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)N1CCC(=O)C=C1CC3.CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C
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| InChI |
InChI=1S/2C22H32N2O2/c2*1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h13,17-18H,5-12H2,1-4H3,(H,23,26);9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t17-,18+,22-;16?,17-,18+,22-/m00/s1
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| InChIKey |
WKDPWJCYKLSYEJ-KAKSCKKLSA-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