General Information of the Compound
| Compound ID |
CP0557604
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| Compound Name |
US8912224, 25
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| Structure |
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| Formula |
C29H28N4O3S
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| Molecular Weight |
512.635
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| Canonical SMILES |
O=C(NCc1ccnc(c1)N1CCCC1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C29H28N4O3S/c34-28(31-18-20-12-13-30-27(16-20)33-14-4-5-15-33)26-19-32-29(37-26)35-23-9-11-25-22(17-23)8-10-24(36-25)21-6-2-1-3-7-21/h1-3,6-7,9,11-13,16-17,19,24H,4-5,8,10,14-15,18H2,(H,31,34)
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| InChIKey |
KVKDGPWMYMGPDD-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