General Information of the Compound
| Compound ID |
CP0908579
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| Compound Name |
SID131433087
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| Structure |
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| Formula |
C33H43N5O4
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| Molecular Weight |
573.738
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| Canonical SMILES |
CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O
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| InChI |
InChI=1S/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-28-30(18-27)42-22-24(3)38(19-23(2)31(41-5)21-37(4)32(28)39)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24+,31+/m1/s1
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| InChIKey |
GFBOARZMZBDAJD-OXYPMYLPSA-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