General Information of the Compound
| Compound ID |
CP0541529
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| Compound Name |
1-{2-[(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-6,9,12-trioxo-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-benzoxatetrazacyclooctadecin-11-yl]ethyl}guanidine
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| Structure |
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| Formula |
C30H42ClN7O4
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| Molecular Weight |
600.164
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CCN=C(N)N)NC1=O
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| InChI |
InChI=1S/C30H42ClN7O4/c1-19(2)26-29(41)37-23(12-14-36-30(32)33)27(39)35-13-6-9-21-8-3-4-11-25(21)42-16-15-34-24(28(40)38-26)18-20-7-5-10-22(31)17-20/h3-5,7-8,10-11,17,19,23-24,26,34H,6,9,12-16,18H2,1-2H3,(H,35,39)(H,37,41)(H,38,40)(H4,32,33,36)/t23-,24+,26+/m0/s1
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| InChIKey |
LBSJXANNUQDGPG-BFLUCZKCSA-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