General Information of the Compound
| Compound ID |
CP0387728
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| Compound Name |
6-[4-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxymethyl]triazol-1-yl]-N-hydroxyhexanamide
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| Structure |
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| Formula |
C31H34N6O7
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| Molecular Weight |
602.648
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| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OCc3cn(CCCCCC(=O)NO)nn3)cc12
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| InChI |
InChI=1S/C31H34N6O7/c1-3-20-21-12-19(43-16-18-14-36(35-33-18)11-7-5-6-8-27(38)34-42)9-10-25(21)32-28-22(20)15-37-26(28)13-24-23(29(37)39)17-44-30(40)31(24,41)4-2/h9-10,12-14,41-42H,3-8,11,15-17H2,1-2H3,(H,34,38)/t31-/m0/s1
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| InChIKey |
DOASHSIQTDJOIL-HKBQPEDESA-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