General Information of the Compound
| Compound ID |
CP0398298
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| Compound Name |
CHEMBL559322
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| Formula |
C31H46N4O3
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| Molecular Weight |
522.734
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCCN2CCOCC2)c1=O
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| InChI |
InChI=1S/C31H46N4O3/c1-23(2)35-29-11-7-6-10-24(29)20-28(31(35)37)30(36)32-25-21-26-12-13-27(22-25)34(26)15-9-5-3-4-8-14-33-16-18-38-19-17-33/h6-7,10-11,20,23,25-27H,3-5,8-9,12-19,21-22H2,1-2H3,(H,32,36)/t25-,26+,27-
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| InChIKey |
BLFYXJBXIJKCKD-LGKQTMLJSA-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