General Information of the Compound
| Compound ID |
CP0419370
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| Compound Name |
US8772323, 164
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| Structure |
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| Formula |
C27H30N4O3
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| Molecular Weight |
458.562
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2C[C@H]3CC[C@@H]2C3)cc1
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| InChI |
InChI=1S/C27H30N4O3/c1-2-18-15-25(32)29-30-26(18)20-6-10-23-24(14-20)34-27(28-23)19-4-8-22(9-5-19)33-12-11-31-16-17-3-7-21(31)13-17/h4-6,8-10,14,17-18,21H,2-3,7,11-13,15-16H2,1H3,(H,29,32)/t17-,18?,21+/m0/s1
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| InChIKey |
RSNLSIBUCCXWJO-KXXXGBTESA-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