General Information of the Compound
| Compound ID |
CP0553855
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| Compound Name |
benzyl N-[[4-(8,10-dioxo-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaen-15-yl)-1,3-thiazol-2-yl]methyl]carbamate
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| Structure |
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| Formula |
C29H22N4O4S
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| Molecular Weight |
522.586
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| Canonical SMILES |
O=C(NCc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1)OCc1ccccc1
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| InChI |
InChI=1S/C29H22N4O4S/c34-27-24-17-7-4-8-18(17)26-23(25(24)28(35)33-27)19-11-16(9-10-20(19)32-26)21-14-38-22(31-21)12-30-29(36)37-13-15-5-2-1-3-6-15/h1-3,5-6,9-11,14,32H,4,7-8,12-13H2,(H,30,36)(H,33,34,35)
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| InChIKey |
QNQKERAATOMVGY-UHFFFAOYSA-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