General Information of the Compound
| Compound ID |
CP0501650
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| Compound Name |
22-[(1E)-3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-en-1-yl]-16-(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 |
C30H28N6O2
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| Molecular Weight |
504.594
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| Canonical SMILES |
OCC1Cn2c3ccccc3c3c4CNC(=O)c4c4c5cc(\C=C\CN=C6NCCN6)ccc5n(C1)c4c23
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| InChI |
InChI=1S/C30H28N6O2/c37-16-18-14-35-22-6-2-1-5-19(22)24-21-13-34-29(38)26(21)25-20-12-17(4-3-9-31-30-32-10-11-33-30)7-8-23(20)36(15-18)28(25)27(24)35/h1-8,12,18,37H,9-11,13-16H2,(H,34,38)(H2,31,32,33)/b4-3+
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| InChIKey |
BSPVHZJTYJERGD-ONEGZZNKSA-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