General Information of the Compound
| Compound ID |
CP0510406
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| Compound Name |
16-(1,3-dihydroxypropan-2-ylidene)-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 |
C26H21N3O3
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| Molecular Weight |
423.472
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| Canonical SMILES |
OCC(CO)=C1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C1)c4c23
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| InChI |
InChI=1S/C26H21N3O3/c30-12-15(13-31)14-10-28-19-7-3-1-5-16(19)21-18-9-27-26(32)23(18)22-17-6-2-4-8-20(17)29(11-14)25(22)24(21)28/h1-8,30-31H,9-13H2,(H,27,32)
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| InChIKey |
PIIORMMYNVBQNF-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