General Information of the Compound
| Compound ID |
CP0879115
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| Compound Name |
SID92763673
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| Structure |
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| Formula |
C42H55N5O3S2
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| Molecular Weight |
742.068
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| Canonical SMILES |
Oc1ccc(C[C@H]2CNC(=S)N2CC2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1
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| InChI |
InChI=1S/C42H55N5O3S2/c48-38-15-9-30(10-16-38)22-35-25-43-41(51)45(35)28-34-8-5-21-44(34)27-36(23-31-11-17-39(49)18-12-31)47-29-37(24-32-13-19-40(50)20-14-32)46(42(47)52)26-33-6-3-1-2-4-7-33/h9-20,33-37,48-50H,1-8,21-29H2,(H,43,51)/t34?,35-,36-,37-/m0/s1
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| InChIKey |
IXGXEPVYDMHUEI-DBKYYFATSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8