General Information of the Compound
| Compound ID |
CP0379770
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| Compound Name |
US9278960, 4-63
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
C[C@@H]1COC[C@@H](C)N1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1
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| InChI |
InChI=1S/C21H25N5O2/c1-13-11-28-12-14(2)26(13)9-15-4-5-17-18(16-8-23-25(3)10-16)7-20(21(22)27)24-19(17)6-15/h4-8,10,13-14H,9,11-12H2,1-3H3,(H2,22,27)/t13-,14-/m1/s1
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| InChIKey |
YGOWCGDKOMAQEC-ZIAGYGMSSA-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