General Information of the Compound
| Compound ID |
CP0473769
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| Compound Name |
CHEMBL538956
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| Formula |
C34H51N5O4
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| Molecular Weight |
593.813
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| Canonical SMILES |
CCOC(=O)N1CCN(CCCCCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3ccccc3n(C(C)C)c2=O)CC1
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| InChI |
InChI=1S/C34H51N5O4/c1-4-43-34(42)37-20-18-36(19-21-37)16-10-6-5-7-11-17-38-28-14-15-29(38)24-27(23-28)35-32(40)30-22-26-12-8-9-13-31(26)39(25(2)3)33(30)41/h8-9,12-13,22,25,27-29H,4-7,10-11,14-21,23-24H2,1-3H3,(H,35,40)/t27-,28+,29-
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| InChIKey |
ABBXOBHUMXCOGM-PKQPGRETSA-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