General Information of the Compound
| Compound ID |
CP0481170
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| Compound Name |
US9139585, 36B
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| Structure |
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| Formula |
C24H29N7O4
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| Molecular Weight |
479.541
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| Canonical SMILES |
Cc1nc(ccc1[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1)-n1cnnn1
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| InChI |
InChI=1S/C24H29N7O4/c1-15-17(3-4-19-20(15)13-35-24(19)34)21(32)11-29-7-9-30(10-8-29)12-22(33)18-5-6-23(26-16(18)2)31-14-25-27-28-31/h3-6,14,21-22,32-33H,7-13H2,1-2H3/t21-,22+/m0/s1
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| InChIKey |
JEASHQWBJCYHJN-FCHUYYIVSA-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