General Information of the Compound
| Compound ID |
CP0413131
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| Compound Name |
(6S,9S,12R)-12-benzyl-6-[(2S)-butan-2-yl]-9-(hydroxymethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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| Structure |
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| Formula |
C30H42N4O5
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| Molecular Weight |
538.689
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)N(C)C1=O
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| InChI |
InChI=1S/C30H42N4O5/c1-4-21(2)27-30(38)34(3)25(20-35)29(37)33-24(19-22-11-6-5-7-12-22)28(36)32-16-10-14-23-13-8-9-15-26(23)39-18-17-31-27/h5-9,11-13,15,21,24-25,27,31,35H,4,10,14,16-20H2,1-3H3,(H,32,36)(H,33,37)/t21-,24+,25-,27-/m0/s1
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| InChIKey |
XWHHHOXGPJZCNQ-GUFCLIDSSA-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