General Information of the Compound
| Compound ID |
CP0541552
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| Compound Name |
16-(hydroxymethyl)-22-[(E)-2-(1H-imidazol-1-yl)ethenyl]-4,14,18-triazaheptacyclo[12.10.2.0^{2,6}.0^{7,26}.0^{8,13}.0^{18,25}.0^{19,24}]hexacosa-1(25),2(6),7(26),8,10,12,19(24),20,22-nonaen-3-one
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| Structure |
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| Formula |
C29H23N5O2
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| Molecular Weight |
473.536
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| Canonical SMILES |
OCC1Cn2c3ccccc3c3c4CNC(=O)c4c4c5cc(\C=C\n6ccnc6)ccc5n(C1)c4c23
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| InChI |
InChI=1S/C29H23N5O2/c35-15-18-13-33-22-4-2-1-3-19(22)24-21-12-31-29(36)26(21)25-20-11-17(7-9-32-10-8-30-16-32)5-6-23(20)34(14-18)28(25)27(24)33/h1-11,16,18,35H,12-15H2,(H,31,36)/b9-7+
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| InChIKey |
LMWATYNKYSUDRB-VQHVLOKHSA-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