General Information of the Compound
| Compound ID |
CP0917864
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| Compound Name |
SID87345531
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| Structure |
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| Formula |
C38H55N5O4
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| Molecular Weight |
645.889
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| Canonical SMILES |
CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4cc(CCC(=O)N(C)C)ccc34)[C@]12C
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| InChI |
InChI=1S/C38H55N5O4/c1-9-42(10-2)37(47)31-23-28(24-33(44)39-20-18-26(5)13-11-12-25(3)4)36(46)43-21-19-30-29-16-14-27(15-17-34(45)41(7)8)22-32(29)40-35(30)38(31,43)6/h12,14,16,18,22,28,31,40H,9-11,13,15,17,19-21,23-24H2,1-8H3,(H,39,44)/b26-18+/t28-,31-,38+/m1/s1
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| InChIKey |
HYZNLJQPERWQNL-WLGUTORESA-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