General Information of the Compound
| Compound ID |
CP0014296
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| Compound Name |
US9777008, Compound 241
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| Structure |
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| Formula |
C29H34N6O
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| Molecular Weight |
482.632
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| Canonical SMILES |
OC(CNc1cc(ccn1)-c1ccc2ncn(C3CCNCC3)c2c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H34N6O/c36-26(19-34-14-10-21-3-1-2-4-24(21)18-34)17-32-29-16-23(7-13-31-29)22-5-6-27-28(15-22)35(20-33-27)25-8-11-30-12-9-25/h1-7,13,15-16,20,25-26,30,36H,8-12,14,17-19H2,(H,31,32)
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| InChIKey |
LZULXYOPMJLNKF-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