General Information of the Compound
| Compound ID |
CP0516768
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| Compound Name |
US9428500, 43
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| Structure |
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| Formula |
C33H42N4Si
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| Molecular Weight |
522.813
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| Canonical SMILES |
CC(C)[Si](C#Cc1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1)(C(C)C)C(C)C
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| InChI |
InChI=1S/C33H42N4Si/c1-23(2)38(24(3)4,25(5)6)21-15-27-14-16-34-33-32(27)30-22-28(10-13-31(30)35-33)26-8-11-29(12-9-26)37-19-17-36(7)18-20-37/h8-14,16,22-25H,17-20H2,1-7H3,(H,34,35)
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| InChIKey |
KIGJAFFIVRBHLV-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