General Information of the Compound
| Compound ID |
CP0429991
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| Compound Name |
US11304929, Example 01-027
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| Structure |
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| Formula |
C30H34ClN5O6S
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| Molecular Weight |
628.151
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| Canonical SMILES |
COC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2cc(Cl)c(cc2n1C)-c1cnn(CCN2CCOCC2)c1
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| InChI |
InChI=1S/C30H34ClN5O6S/c1-20(21-4-6-24(7-5-21)43(39,40)19-29(37)41-3)33-30(38)28-15-22-14-26(31)25(16-27(22)34(28)2)23-17-32-36(18-23)9-8-35-10-12-42-13-11-35/h4-7,14-18,20H,8-13,19H2,1-3H3,(H,33,38)/t20-/m1/s1
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| InChIKey |
BRYVUOLJMLRWKN-HXUWFJFHSA-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