General Information of the Compound
| Compound ID |
CP0399971
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-{4-[3-(5-dimethylamino-naphthalene-1-sulfonylamino)-propionyl]-piperazin-1-yl}-ethyl ester
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| Structure |
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| Formula |
C29H36ClN5O6S
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| Molecular Weight |
618.156
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
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| InChI |
InChI=1S/C29H36ClN5O6S/c1-33(2)25-8-4-7-21-20(25)6-5-9-27(21)42(38,39)32-11-10-28(36)35-14-12-34(13-15-35)16-17-41-29(37)22-18-23(30)24(31)19-26(22)40-3/h4-9,18-19,32H,10-17,31H2,1-3H3
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| InChIKey |
DMJAKJXRBBTEDQ-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