General Information of the Compound
| Compound ID |
CP0407518
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| Compound Name |
N-[(2S)-1,4-dihydroxybutan-2-yl]-1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C29H46N2O5
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| Molecular Weight |
502.696
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N[C@H](CO)CCO
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| InChI |
InChI=1S/C29H46N2O5/c1-8-29(9-2,21-11-13-24(20(4)17-21)36-19-26(34)28(5,6)7)25-14-12-23(31(25)10-3)27(35)30-22(18-33)15-16-32/h11-14,17,22,26,32-34H,8-10,15-16,18-19H2,1-7H3,(H,30,35)/t22-,26?/m0/s1
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| InChIKey |
IQPAMIKPYLHRTA-CHQVSRGASA-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