General Information of the Compound
| Compound ID |
CP0859544
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| Compound Name |
9-Carbamoyl-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinolin-7-ium (alpha-ergocriptine)
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| Structure |
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| Formula |
C16H17N3O
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| Molecular Weight |
267.332
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| Canonical SMILES |
CN1C[C@H](C(N)=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
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| InChI |
InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1
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| InChIKey |
GENAHGKEFJLNJB-QMTHXVAHSA-N
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| CAS |
478-94-4
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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