General Information of the Compound
| Compound ID |
CP0880613
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| Compound Name |
N'-[5-(4-{4-[(S)-2-Hydroxy-3-(8-hydroxy-2-oxo-1,2,3,4-tetrahydro-quinolin-5-yloxy)-propylamino]-piperidin-1-yl}-benzylidene)-4-oxo-4,5-dihydro-thiazol-2-yl]-N,N-dimethyl-guanidine
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| Structure |
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| Formula |
C30H37N7O5S
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| Molecular Weight |
607.737
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| Canonical SMILES |
CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c5c4CCC(=O)N5)CC3)cc2)S1
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| InChI |
InChI=1S/C30H37N7O5S/c1-36(2)29(31)35-30-34-28(41)25(43-30)15-18-3-5-20(6-4-18)37-13-11-19(12-14-37)32-16-21(38)17-42-24-9-8-23(39)27-22(24)7-10-26(40)33-27/h3-6,8-9,15,19,21,32,38-39H,7,10-14,16-17H2,1-2H3,(H,33,40)(H2,31,34,35,41)/b25-15-/t21-/m0/s1
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| InChIKey |
DNHMCICLDPXBHZ-BABSMXRMSA-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