General Information of the Compound
| Compound ID |
CP0934282
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| Compound Name |
US9120797, 33
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| Structure |
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| Formula |
C25H31N3
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| Molecular Weight |
373.544
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| Canonical SMILES |
CC1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1
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| InChI |
InChI=1S/C25H31N3/c1-18-17-21-20-11-7-8-12-22(20)26-23(21)24(27-18)13-15-25(16-14-24,28(2)3)19-9-5-4-6-10-19/h4-12,18,26-27H,13-17H2,1-3H3
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| InChIKey |
CRRFNIPBMBTDTD-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