General Information of the Compound
| Compound ID |
CP0558520
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| Compound Name |
US10618902, Compound I-294
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| Structure |
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| Formula |
C25H29N5O5
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| Molecular Weight |
479.537
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| Canonical SMILES |
COc1cc(OC)c(C)c(c1C)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O
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| InChI |
InChI=1S/C25H29N5O5/c1-7-21(31)27-17-11-35-12-18(17)28-25-26-10-15-8-16(24(32)30(4)23(15)29-25)22-13(2)19(33-5)9-20(34-6)14(22)3/h7-10,17-18H,1,11-12H2,2-6H3,(H,27,31)(H,26,28,29)/t17-,18+/m0/s1
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| InChIKey |
XMTUBCFDOXDZIL-ZWKOTPCHSA-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