General Information of the Compound
| Compound ID |
CP0529253
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| Compound Name |
US9314468, Table 7, Compound 136
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| Formula |
C34H42N6O2
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| Molecular Weight |
566.75
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| Canonical SMILES |
N[C@H]1CC[C@H](CN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1
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| InChI |
InChI=1S/C34H42N6O2/c35-26-12-10-24(11-13-26)21-39(31-9-3-5-25-6-4-15-37-33(25)31)22-29-34-28(14-16-36-29)27-7-1-2-8-30(27)40(34)23-32(41)38-17-19-42-20-18-38/h1-2,4,6-8,14-16,24,26,31H,3,5,9-13,17-23,35H2/t24-,26-,31-/m0/s1
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| InChIKey |
YFGRYLFTDBFCPF-NLVXVLGSSA-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