General Information of the Compound
| Compound ID |
CP0550556
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| Compound Name |
US10047103, 270
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| Structure |
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| Formula |
C30H29N7O3S
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| Molecular Weight |
567.675
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCN(Cc3cccnc3)CC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C30H29N7O3S/c1-20-5-6-29-33-25(17-37(29)34-20)28-14-24-26(12-23(38-2)13-27(24)40-28)39-18-22-19-41-30(32-22)36-10-8-35(9-11-36)16-21-4-3-7-31-15-21/h3-7,12-15,17,19H,8-11,16,18H2,1-2H3
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| InChIKey |
YGAIJYFDRDKSCA-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