General Information of the Compound
| Compound ID |
CP0496591
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| Compound Name |
16,16-bis(hydroxymethyl)-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 |
C25H21N3O3
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| Molecular Weight |
411.461
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| Canonical SMILES |
OCC1(CO)Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C1)c4c23
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| InChI |
InChI=1S/C25H21N3O3/c29-12-25(13-30)10-27-17-7-3-1-5-14(17)19-16-9-26-24(31)21(16)20-15-6-2-4-8-18(15)28(11-25)23(20)22(19)27/h1-8,29-30H,9-13H2,(H,26,31)
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| InChIKey |
DBYROLWMWGUFKF-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