General Information of the Compound
| Compound ID |
CP0207364
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| Compound Name |
US9586948, Example 49
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| Structure |
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| Formula |
C27H34N8O2
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| Molecular Weight |
502.623
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| Canonical SMILES |
CN1CCCC(CNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)C1
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| InChI |
InChI=1S/C27H34N8O2/c1-34-12-4-5-19(16-34)15-30-27(37)25-23(17-35(2)33-25)32-26(36)22-7-3-6-21(31-22)20-10-11-28-24(13-20)29-14-18-8-9-18/h3,6-7,10-11,13,17-19H,4-5,8-9,12,14-16H2,1-2H3,(H,28,29)(H,30,37)(H,32,36)
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| InChIKey |
JYEAFVZITKJCMW-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