General Information of the Compound
| Compound ID |
CP0948789
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| Compound Name |
SID85146834
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| Structure |
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| Formula |
C27H28N8O4
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| Molecular Weight |
528.573
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| Canonical SMILES |
Cc1ccc(NC(=O)c2[nH]cnc2C(=O)NCCCNC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C27H28N8O4/c1-16-4-8-18(9-5-16)34-26(38)22-20(30-14-32-22)24(36)28-12-3-13-29-25(37)21-23(33-15-31-21)27(39)35-19-10-6-17(2)7-11-19/h4-11,14-15H,3,12-13H2,1-2H3,(H,28,36)(H,29,37)(H,30,32)(H,31,33)(H,34,38)(H,35,39)
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| InChIKey |
KVMMFHRVFQXEOG-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