General Information of the Compound
| Compound ID |
CP0568232
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| Compound Name |
US9212187, 10
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| Structure |
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| Formula |
C33H39N5O4
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| Molecular Weight |
569.706
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| Canonical SMILES |
CCN1c2ccc(CCCN(CCn3ccc4oc(C)cc4c3=O)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O
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| InChI |
InChI=1S/C33H39N5O4/c1-6-38-27-10-9-24(21-28(27)35(5)31(40)33(3,4)32(38)41)8-7-16-36(22-25-11-14-34-15-12-25)18-19-37-17-13-29-26(30(37)39)20-23(2)42-29/h9-15,17,20-21H,6-8,16,18-19,22H2,1-5H3
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| InChIKey |
VTTMYHZFIVNFDO-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