General Information of the Compound
| Compound ID |
CP0556001
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| Compound Name |
US9062070, 46
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| Structure |
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| Formula |
C27H29N7O4
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| Molecular Weight |
515.574
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| Canonical SMILES |
C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1
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| InChI |
InChI=1S/C27H29N7O4/c1-16-8-19-9-18(3-4-21(19)27(36)38-16)24-13-32-6-7-33(12-20(32)14-37-24)26(35)22-5-2-17-10-25(28-11-23(17)22)34-15-29-30-31-34/h3-4,9-11,15-16,20,22,24H,2,5-8,12-14H2,1H3/t16-,20+,22?,24-/m1/s1
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| InChIKey |
YDRNUNMRRPLUMU-IFCXMMGESA-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