General Information of the Compound
| Compound ID |
CP0526291
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| Compound Name |
(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-(4-morpholin-4-ylpiperidin-1-yl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
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| Structure |
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| Formula |
C42H51N7O5
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| Molecular Weight |
733.914
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| Canonical SMILES |
O=C1C[C@@H](N2CCC(CC2)N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
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| InChI |
InChI=1S/C42H51N7O5/c50-39-26-38(49-17-15-33(16-18-49)48-19-21-54-22-20-48)42(53)44-28-32(23-29-9-3-1-4-10-29)45-40(51)36(24-30-11-5-2-6-12-30)47-41(52)37(46-39)25-31-27-43-35-14-8-7-13-34(31)35/h1-14,27,32-33,36-38,43H,15-26,28H2,(H,44,53)(H,45,51)(H,46,50)(H,47,52)/t32-,36+,37+,38-/m1/s1
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| InChIKey |
PSORHCPVAZEEKB-RJKGWOMYSA-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