General Information of the Compound
| Compound ID |
CP0392123
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| Compound Name |
(1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid (3-amino-propyl)-amide
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| Structure |
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| Formula |
C23H32N4O2
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| Molecular Weight |
396.535
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| Canonical SMILES |
NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
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| InChI |
InChI=1S/C23H32N4O2/c24-9-3-10-25-23(29)21-17-12-19-22-16(15-4-1-2-5-18(15)26-22)8-11-27(19)13-14(17)6-7-20(21)28/h1-2,4-5,14,17,19-21,26,28H,3,6-13,24H2,(H,25,29)/t14-,17?,19-,20-,21+/m0/s1
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| InChIKey |
DREAQJWFKWPENL-CVZXYRABSA-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