General Information of the Compound
| Compound ID |
CP0910692
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| Compound Name |
US8551978, I-34::US8816088, I-34
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| Structure |
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| Formula |
C48H50N6O7
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| Molecular Weight |
822.963
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| Canonical SMILES |
CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1
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| InChI |
InChI=1S/C48H50N6O7/c1-53(45(58)25-29-54-27-23-37(24-28-54)61-48(60)51-41-13-6-5-12-38(41)33-8-3-2-4-9-33)36-11-7-10-34(30-36)47(59)50-35-16-14-32(15-17-35)22-26-49-31-43(56)39-18-20-42(55)46-40(39)19-21-44(57)52-46/h2-21,30,37,43,49,55-56H,22-29,31H2,1H3,(H,50,59)(H,51,60)(H,52,57)/t43-/m0/s1
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| InChIKey |
SVZCFOOBMRCIIT-QLKFWGTOSA-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