General Information of the Compound
| Compound ID |
CP0525655
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| Compound Name |
N-[(2S)-1,4-dihydroxybutan-2-yl]-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-methylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C28H44N2O5
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| Molecular Weight |
488.669
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| Canonical SMILES |
CCC(CC)(c1ccc(C(=O)N[C@H](CO)CCO)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C28H44N2O5/c1-8-28(9-2,20-10-12-23(19(3)16-20)35-18-25(33)27(4,5)6)24-13-11-22(30(24)7)26(34)29-21(17-32)14-15-31/h10-13,16,21,25,31-33H,8-9,14-15,17-18H2,1-7H3,(H,29,34)/t21-,25?/m0/s1
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| InChIKey |
KBZOFKIKGIBNPK-BWDMCYIDSA-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