General Information of the Compound
| Compound ID |
CP0536389
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| Compound Name |
10,16-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 |
OCC1Cn2c3ccccc3c3c4C(=O)NCc4c4c5cc(CO)ccc5n(C1)c4c23
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| InChI |
InChI=1S/C25H21N3O3/c29-11-13-5-6-19-16(7-13)20-17-8-26-25(31)22(17)21-15-3-1-2-4-18(15)27-9-14(12-30)10-28(19)23(20)24(21)27/h1-7,14,29-30H,8-12H2,(H,26,31)
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| InChIKey |
YBOHKHOOGLAEEN-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