General Information of the Compound
| Compound ID |
CP0389679
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| Compound Name |
2-[(3S,6R,8Z,11R)-11-[(4-fluorophenyl)methyl]-5,12-bis(oxidanylidene)-3-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide
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| Structure |
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| Formula |
C34H37FN2O5
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| Molecular Weight |
572.677
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| Canonical SMILES |
OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C/C[C@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](NC1=O)c1ccccc1
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| InChI |
InChI=1S/C34H37FN2O5/c35-30-17-15-25(16-18-30)21-29-14-8-7-13-28(22-32(39)37(19-20-38)23-26-9-3-1-4-10-26)33(40)36-31(24-42-34(29)41)27-11-5-2-6-12-27/h1-12,15-18,28-29,31,38H,13-14,19-24H2,(H,36,40)/b8-7-/t28-,29-,31-/m1/s1
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| InChIKey |
HAELHCQHHHCRMH-NMPBDGROSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3