General Information of the Compound
| Compound ID |
CP0491309
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| Compound Name |
(7-cyclopentyloxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3R,4S,5R)-3,4,5-trihydroxycyclohexen-1-yl]methanone
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| Structure |
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| Formula |
C22H29NO6
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| Molecular Weight |
403.475
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
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| InChI |
InChI=1S/C22H29NO6/c1-28-19-10-13-6-7-23(22(27)14-8-17(24)21(26)18(25)9-14)12-15(13)11-20(19)29-16-4-2-3-5-16/h8,10-11,16-18,21,24-26H,2-7,9,12H2,1H3/t17-,18-,21-/m1/s1
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| InChIKey |
XVPCSCWNHKRIHR-DBXWQHBBSA-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