General Information of the Compound
| Compound ID |
CP0434322
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| Compound Name |
[(6R,9R,12S)-6-[(4-chlorophenyl)methyl]-7,10,13-trioxo-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-12-yl]methylurea
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| Structure |
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| Formula |
C29H39ClN6O5
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| Molecular Weight |
587.121
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(N)=O)NC1=O
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| InChI |
InChI=1S/C29H39ClN6O5/c1-18(2)25-28(39)35-23(17-34-29(31)40)26(37)33-13-5-7-20-6-3-4-8-24(20)41-15-14-32-22(27(38)36-25)16-19-9-11-21(30)12-10-19/h3-4,6,8-12,18,22-23,25,32H,5,7,13-17H2,1-2H3,(H,33,37)(H,35,39)(H,36,38)(H3,31,34,40)/t22-,23+,25-/m1/s1
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| InChIKey |
BMHBWTHUOWRLMU-GIFXNVAJSA-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