General Information of the Compound
| Compound ID |
CP0452213
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| Compound Name |
CHEMBL2158392
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| Formula |
C42H44N4O10
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| Molecular Weight |
764.832
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)N[C@@]1([C@H](c2ccccc2)[C@](NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)([C@@H]1c1ccccc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C42H44N4O10/c1-39(2,3)55-37(53)43-29-21-17-27(18-22-29)33(47)45-41(35(49)50)31(25-13-9-7-10-14-25)42(36(51)52,32(41)26-15-11-8-12-16-26)46-34(48)28-19-23-30(24-20-28)44-38(54)56-40(4,5)6/h7-24,31-32H,1-6H3,(H,43,53)(H,44,54)(H,45,47)(H,46,48)(H,49,50)(H,51,52)/t31-,32+,41+,42-
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| InChIKey |
RPSBKYFCKWNEMW-UNVJIKSCSA-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