General Information of the Compound
| Compound ID |
CP0438044
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| Compound Name |
(6aR,9S,11S,12aS,12bS)-9-amino-11-methyl-1,2,3,5,6,6a,8,9,10,11,12a,12b-dodecahydrochromeno[2,3-g]indolizin-12-one
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| Synonyms |
BDBM50269337
CHEMBL497516
Grandisine F
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| Structure |
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| Formula |
C16H24N2O2
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| Molecular Weight |
276.38
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| Canonical SMILES |
C[C@H]1C[C@H](N)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2
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| InChI |
InChI=1S/C16H24N2O2/c1-9-7-10(17)8-13-14(9)16(19)15-11-3-2-5-18(11)6-4-12(15)20-13/h9-12,15H,2-8,17H2,1H3/t9-,10-,11-,12+,15-/m0/s1
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| InChIKey |
AOYSDZUESPFRDD-NAYUARGSSA-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
Clinical Information about the Compound