General Information of the Compound
| Compound ID |
CP0856367
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| Compound Name |
(6aR)-O10-(3-(6-((Tert-butoxycarbonyl)amino)hexanamido)-propyl)apomorphine
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| Structure |
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| Formula |
C31H43N3O5
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| Molecular Weight |
537.701
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| Canonical SMILES |
CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)c(O)c1-3
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| InChI |
InChI=1S/C31H43N3O5/c1-31(2,3)39-30(37)33-16-7-5-6-12-26(35)32-17-9-19-38-25-14-13-22-20-24-27-21(15-18-34(24)4)10-8-11-23(27)28(22)29(25)36/h8,10-11,13-14,24,36H,5-7,9,12,15-20H2,1-4H3,(H,32,35)(H,33,37)/t24-/m1/s1
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| InChIKey |
QYSHFCPJVHYHPL-XMMPIXPASA-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