General Information of the Compound
| Compound ID |
CP0864952
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| Compound Name |
(1aS,5S,11R,19bS)-11-sec-butyl-5-(3-chlorobenzyl)-2,3,5,6,11,12,13,14-octahydro-1H-spiro[benzo[q]cyclopropa[o][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-4,7,10(1aH,9H,19bH)-trione
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| Structure |
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| Formula |
C33H43ClN4O4
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| Molecular Weight |
595.184
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| Canonical SMILES |
CCC(C)[C@H]1NCCOc2ccccc2[C@H]2C[C@@H]2CNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C33H43ClN4O4/c1-3-21(2)29-31(40)38-33(13-6-7-14-33)32(41)37-27(18-22-9-8-10-24(34)17-22)30(39)36-20-23-19-26(23)25-11-4-5-12-28(25)42-16-15-35-29/h4-5,8-12,17,21,23,26-27,29,35H,3,6-7,13-16,18-20H2,1-2H3,(H,36,39)(H,37,41)(H,38,40)/t21?,23-,26+,27+,29-/m1/s1
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| InChIKey |
RVMFTGGDTYKJQM-VSVDGTPTSA-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