General Information of the Compound
| Compound ID |
CP0501652
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| Compound Name |
10,16,22-tris(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 |
C26H23N3O4
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| Molecular Weight |
441.487
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| Canonical SMILES |
OCC1Cn2c3ccc(CO)cc3c3c4CNC(=O)c4c4c5cc(CO)ccc5n(C1)c4c23
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| InChI |
InChI=1S/C26H23N3O4/c30-10-13-1-3-19-16(5-13)21-18-7-27-26(33)23(18)22-17-6-14(11-31)2-4-20(17)29-9-15(12-32)8-28(19)24(21)25(22)29/h1-6,15,30-32H,7-12H2,(H,27,33)
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| InChIKey |
IJTRBCMMSIRTDG-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