General Information of the Compound
| Compound ID |
CP0557223
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| Compound Name |
US9314468, Table 8, Compound 10
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| Structure |
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| Formula |
C33H42N6O2
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| Molecular Weight |
554.739
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)C(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)C3CCCc4cccnc34)c12
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| InChI |
InChI=1S/C33H42N6O2/c1-23-19-38(20-24(2)41-23)31(40)22-39-29-12-4-3-11-26(29)27-14-17-35-28(33(27)39)21-37(18-6-5-15-34)30-13-7-9-25-10-8-16-36-32(25)30/h3-4,8,10-12,14,16-17,23-24,30H,5-7,9,13,15,18-22,34H2,1-2H3/t23-,24+,30?
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| InChIKey |
FWHNJLUNLZEIMP-QBONCRILSA-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