General Information of the Compound
| Compound ID |
CP0011291
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| Compound Name |
2-[2-[5-[[2-[2-[[(4R,4aS,7S,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-2-oxoethoxy]acetyl]amino]pentylamino]-2-oxoethoxy]-N-methylacetamide
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| Structure |
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| Formula |
C31H45N5O9
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| Molecular Weight |
631.727
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| Canonical SMILES |
CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45
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| InChI |
InChI=1S/C31H45N5O9/c1-32-23(38)15-43-16-24(39)33-11-4-3-5-12-34-25(40)17-44-18-26(41)35-20-8-9-31(42)22-14-19-6-7-21(37)28-27(19)30(31,29(20)45-28)10-13-36(22)2/h6-7,20,22,29,37,42H,3-5,8-18H2,1-2H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)/t20-,22+,29-,30-,31+/m0/s1
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| InChIKey |
RKXDQMHWZITBEE-ZYGMWPOSSA-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