General Information of the Compound
| Compound ID |
CP0551414
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| Compound Name |
CHEMBL4765002
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| Formula |
C28H34N6O4
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| Molecular Weight |
518.618
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| Canonical SMILES |
CN1CCNC(=O)COc2ccc(C)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)[C@H]1C[C@H](O)C1
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| InChI |
InChI=1S/C28H34N6O4/c1-17-6-7-24-20(11-17)28(37)33-9-4-3-5-23(33)22-14-25-30-21(18-12-19(35)13-18)15-27(34(25)31-22)32(2)10-8-29-26(36)16-38-24/h6-7,11,14-15,18-19,23,35H,3-5,8-10,12-13,16H2,1-2H3,(H,29,36)/t18-,19-,23-/m0/s1
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| InChIKey |
SWKXDCOZSCMXLC-YDHSSHFGSA-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