General Information of the Compound
| Compound ID |
CP0510294
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| Compound Name |
methyl 2-[[2-[[(1S,15R,18S,19R)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carbonyl]amino]acetyl]amino]acetate
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| Structure |
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| Formula |
C25H32N4O5
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| Molecular Weight |
468.554
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| Canonical SMILES |
COC(=O)CNC(=O)CNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
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| InChI |
InChI=1S/C25H32N4O5/c1-34-22(32)12-26-21(31)11-27-25(33)23-17-10-19-24-16(15-4-2-3-5-18(15)28-24)8-9-29(19)13-14(17)6-7-20(23)30/h2-5,14,17,19-20,23,28,30H,6-13H2,1H3,(H,26,31)(H,27,33)/t14-,17?,19-,20-,23+/m0/s1
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| InChIKey |
GJZPDXKFPWGUKH-SZBWEJNYSA-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