General Information of the Compound
| Compound ID |
CP0897060
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| Compound Name |
SID131409384
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| Structure |
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| Formula |
C37H48N4O4
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| Molecular Weight |
612.815
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| Canonical SMILES |
C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C37H48N4O4/c1-26-22-41(27(2)25-42)36(43)21-31-20-33(39-37(44)38-32-12-8-5-9-13-32)18-19-34(31)45-35(26)24-40(3)23-28-14-16-30(17-15-28)29-10-6-4-7-11-29/h4,6-7,10-11,14-20,26-27,32,35,42H,5,8-9,12-13,21-25H2,1-3H3,(H2,38,39,44)/t26-,27-,35+/m0/s1
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| InChIKey |
CMLTYIJXOZVOLL-PDTNBVABSA-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