General Information of the Compound
| Compound ID |
CP0947858
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| Compound Name |
SID121284993
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| Structure |
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| Formula |
C28H31N7O2
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| Molecular Weight |
497.603
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| Canonical SMILES |
Oc1nc2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCCC2)CC1
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| InChI |
InChI=1S/C28H31N7O2/c36-28-29-22-11-5-6-12-23(22)34(28)20-14-16-33(17-15-20)26(25-18-19-8-4-7-13-24(19)37-25)27-30-31-32-35(27)21-9-2-1-3-10-21/h4-8,11-13,18,20-21,26H,1-3,9-10,14-17H2,(H,29,36)
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| InChIKey |
YXPAYTDOCIPYQL-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