General Information of the Compound
| Compound ID |
CP0466806
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| Compound Name |
(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-11-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-8-(propan-2-yl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
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| Structure |
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| Formula |
C31H42ClN7O4
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| Molecular Weight |
612.175
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN=C2NCCN2)NC1=O
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| InChI |
InChI=1S/C31H42ClN7O4/c1-20(2)27-30(42)38-25(19-37-31-35-13-14-36-31)28(40)34-12-6-9-22-8-3-4-11-26(22)43-16-15-33-24(29(41)39-27)18-21-7-5-10-23(32)17-21/h3-5,7-8,10-11,17,20,24-25,27,33H,6,9,12-16,18-19H2,1-2H3,(H,34,40)(H,38,42)(H,39,41)(H2,35,36,37)/t24-,25+,27-/m1/s1
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| InChIKey |
MHMGFOWRNHIOLN-CMTIAEDTSA-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