General Information of the Compound
| Compound ID |
CP0063166
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| Compound Name |
3-desoxy-3-carboxamidonaltrexone
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| Synonyms |
(5a)-17-(cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-carboxamide
3-desoxy-3-carboxamidonaltrexone
6-Oxo-17-(cyclopropylmethyl)-14-hydroxy-4,5alpha-epoxymorphinan-3-carboxamide
BDBM50128411
CHEMBL56695
QAICPHMNUHNDMC-WUHBCXKYSA-N
SCHEMBL2785528
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| Structure |
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| Formula |
C21H24N2O4
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| Molecular Weight |
368.433
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| Canonical SMILES |
NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
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| InChI |
InChI=1S/C21H24N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,15,18,26H,1-2,5-10H2,(H2,22,25)/t15-,18+,20+,21-/m1/s1
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| InChIKey |
QAICPHMNUHNDMC-WUHBCXKYSA-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