General Information of the Compound
| Compound ID |
CP0938120
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| Compound Name |
isoelaeocarpicine
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| Structure |
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| Formula |
C16H21NO3
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| Molecular Weight |
275.348
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| Canonical SMILES |
Cc1cccc(O)c1C(=O)[C@@H]1[C@H]2CCCN2CC[C@@H]1O
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| InChI |
InChI=1S/C16H21NO3/c1-10-4-2-6-12(18)14(10)16(20)15-11-5-3-8-17(11)9-7-13(15)19/h2,4,6,11,13,15,18-19H,3,5,7-9H2,1H3/t11-,13+,15-/m1/s1
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| InChIKey |
KNWPAVJLJQWJMR-OSAQELSMSA-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