General Information of the Compound
| Compound ID |
CP0078259
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| Compound Name |
17,20,23-trimethyl-4,14,17,20,23,26-hexaazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione
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| Structure |
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| Formula |
C31H36N6O2
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| Molecular Weight |
524.669
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| Canonical SMILES |
CN1CCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCN(C)CC1)c1ccccc31)c1ccccc21
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| InChI |
InChI=1S/C31H36N6O2/c1-33-12-14-34(2)16-18-36-20-24(22-8-4-6-10-26(22)36)28-29(31(39)32-30(28)38)25-21-37(19-17-35(3)15-13-33)27-11-7-5-9-23(25)27/h4-11,20-21H,12-19H2,1-3H3,(H,32,38,39)
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| InChIKey |
DQVPZOKGUAQGTM-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