General Information of the Compound
| Compound ID |
CP0378713
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| Compound Name |
(2S,5S,8R,12R)-5-benzyl-8-[(3,4-dichlorophenyl)methyl]-2-(1H-indol-3-ylmethyl)-12-morpholin-4-yl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
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| Structure |
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| Formula |
C37H40Cl2N6O5
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| Molecular Weight |
719.67
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| Canonical SMILES |
Clc1ccc(C[C@@H]2CNC(=O)[C@@H](CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)N2CCOCC2)cc1Cl
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| InChI |
InChI=1S/C37H40Cl2N6O5/c38-28-11-10-24(17-29(28)39)16-26-22-41-37(49)33(45-12-14-50-15-13-45)20-34(46)43-32(19-25-21-40-30-9-5-4-8-27(25)30)36(48)44-31(35(47)42-26)18-23-6-2-1-3-7-23/h1-11,17,21,26,31-33,40H,12-16,18-20,22H2,(H,41,49)(H,42,47)(H,43,46)(H,44,48)/t26-,31+,32+,33-/m1/s1
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| InChIKey |
OZOXDTUEGQWADF-RVLOQZQWSA-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