General Information of the Compound
| Compound ID |
CP0949423
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| Compound Name |
SID121285003
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| Structure |
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| Formula |
C26H31N7O
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| Molecular Weight |
457.582
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| Canonical SMILES |
Oc1nc2ccccc2n1C1CCN(C(c2ccccc2)c2nnnn2C2CCCCC2)CC1
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| InChI |
InChI=1S/C26H31N7O/c34-26-27-22-13-7-8-14-23(22)32(26)20-15-17-31(18-16-20)24(19-9-3-1-4-10-19)25-28-29-30-33(25)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,20-21,24H,2,5-6,11-12,15-18H2,(H,27,34)
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| InChIKey |
SLNVDAOZJYFFDM-UHFFFAOYSA-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