General Information of the Compound
| Compound ID |
CP0204062
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| Compound Name |
US8680275, 197
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| Structure |
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| Formula |
C27H25N5O2
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| Molecular Weight |
451.53
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| Canonical SMILES |
Cc1onc(c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1ccnc(n1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C27H25N5O2/c1-18-24(25(30-34-18)19-8-4-2-5-9-19)27(33)31-15-13-21-16-32(22(21)17-31)23-12-14-28-26(29-23)20-10-6-3-7-11-20/h2-12,14,21-22H,13,15-17H2,1H3/t21-,22-/m0/s1
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| InChIKey |
GMXZJPCLCBRYSS-VXKWHMMOSA-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