General Information of the Compound
| Compound ID |
CP0458668
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| Compound Name |
(5R,8R,11S)-5-[(3-chlorophenyl)methyl]-8-(propan-2-yl)-11-(1H-pyrazol-1-ylmethyl)-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 |
C31H39ClN6O4
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| Molecular Weight |
595.144
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2cccn2)NC1=O
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| InChI |
InChI=1S/C31H39ClN6O4/c1-21(2)28-31(41)36-26(20-38-16-7-14-35-38)29(39)34-13-6-10-23-9-3-4-12-27(23)42-17-15-33-25(30(40)37-28)19-22-8-5-11-24(32)18-22/h3-5,7-9,11-12,14,16,18,21,25-26,28,33H,6,10,13,15,17,19-20H2,1-2H3,(H,34,39)(H,36,41)(H,37,40)/t25-,26+,28-/m1/s1
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| InChIKey |
WIDBVUQLEVBIGW-FULLSBAXSA-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