General Information of the Compound
| Compound ID |
CP0561187
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| Compound Name |
US9493474, 15
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| Structure |
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| Formula |
C25H27N7O4
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| Molecular Weight |
489.536
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2CCN(CC2C1)C(=O)c1ccc(nc1)-n1cnnn1
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| InChI |
InChI=1S/C25H27N7O4/c1-15-19(3-4-20-21(15)13-36-25(20)35)22(33)12-30-9-17-6-7-31(11-18(17)10-30)24(34)16-2-5-23(26-8-16)32-14-27-28-29-32/h2-5,8,14,17-18,22,33H,6-7,9-13H2,1H3/t17?,18?,22-/m0/s1
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| InChIKey |
CDBNEDUFHVAVGB-IRZJEQJZSA-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