General Information of the Compound
| Compound ID |
CP0509720
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| Compound Name |
CHEMBL2087326
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| Formula |
C24H33N5O4
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| Molecular Weight |
455.559
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNC(N)=O)c1=O
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| InChI |
InChI=1S/C24H33N5O4/c1-14(2)29-21-6-4-3-5-15(21)9-20(23(29)32)22(31)27-16-10-17-7-8-18(11-16)28(17)13-19(30)12-26-24(25)33/h3-6,9,14,16-19,30H,7-8,10-13H2,1-2H3,(H,27,31)(H3,25,26,33)/t16-,17+,18-,19?
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| InChIKey |
BUZNVPUKPLGXLL-SKDQJUDHSA-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