General Information of the Compound
| Compound ID |
CP0956945
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| Compound Name |
SID85201301
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| Structure |
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| Formula |
C32H35N5O6S
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| Molecular Weight |
617.728
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| Canonical SMILES |
COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NC(=O)c4nc5ccccc5s4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
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| InChI |
InChI=1S/C32H35N5O6S/c1-19-16-37(20(2)18-38)31(40)23-8-7-10-25(34-29(39)30-35-24-9-5-6-11-27(24)44-30)28(23)43-26(19)17-36(3)32(41)33-21-12-14-22(42-4)15-13-21/h5-15,19-20,26,38H,16-18H2,1-4H3,(H,33,41)(H,34,39)/t19-,20+,26-/m1/s1
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| InChIKey |
PCWIAFLPHYHMOC-BVFVYWQFSA-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