General Information of the Compound
| Compound ID |
CP0906903
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| Compound Name |
SID131433048
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| Structure |
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| Formula |
C33H42N4O4
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| Molecular Weight |
558.723
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| Canonical SMILES |
CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2
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| InChI |
InChI=1S/C33H42N4O4/c1-6-9-32(38)35-27-15-16-30-28(18-27)33(39)36(4)21-31(40-5)23(2)19-37(24(3)22-41-30)20-25-11-13-26(14-12-25)29-10-7-8-17-34-29/h7-8,10-18,23-24,31H,6,9,19-22H2,1-5H3,(H,35,38)/t23-,24-,31-/m1/s1
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| InChIKey |
DKFJGYQTLBOWCX-OVMXQCPESA-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