General Information of the Compound
| Compound ID |
CP0951532
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| Compound Name |
SID92763650
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| Structure |
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| Formula |
C35H57N5OS2
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| Molecular Weight |
628.009
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| Canonical SMILES |
CC(C)C[C@H]1CNC(=S)N1CC1CCCN1C[C@H](CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S
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| InChI |
InChI=1S/C35H57N5OS2/c1-25(2)17-30-20-36-34(42)38(30)23-29-11-8-16-37(29)22-31(18-26(3)4)40-24-32(19-27-12-14-33(41)15-13-27)39(35(40)43)21-28-9-6-5-7-10-28/h12-15,25-26,28-32,41H,5-11,16-24H2,1-4H3,(H,36,42)/t29?,30-,31-,32-/m0/s1
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| InChIKey |
QBCPLURXVNHHSR-PTMYVKAOSA-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: PT06172, Mothers against decapentaplegic homolog 3