General Information of the Compound
| Compound ID |
CP0864688
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| Compound Name |
SID131464142
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| Structure |
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| Formula |
C31H33N3O3
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| Molecular Weight |
495.623
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| Canonical SMILES |
COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1
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| InChI |
InChI=1S/C31H33N3O3/c1-37-29-12-6-5-11-26(29)32-31(36)33-19-7-8-20-34-27(21-33)30(28(34)22-35)25-17-15-24(16-18-25)14-13-23-9-3-2-4-10-23/h2-6,9-12,15-18,27-28,30,35H,7-8,19-22H2,1H3,(H,32,36)/t27-,28-,30-/m0/s1
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| InChIKey |
SLKWXVVSRMTQQR-XEVVZDEMSA-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